Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H30F5N5O2 |
| Molecular Weight | 575.5728 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]1CN(CC2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C6(CC5=NN=CN5C)COC6)C(F)(F)F)CCC1(F)F
InChI
InChIKey=YQALLLNHBDHXFZ-GOSISDBHSA-N
InChI=1S/C29H30F5N5O2/c1-18-12-38(7-6-28(18,30)31)13-19-8-22-23(24(9-19)29(32,33)34)14-39(26(22)40)21-5-3-4-20(10-21)27(15-41-16-27)11-25-36-35-17-37(25)2/h3-5,8-10,17-18H,6-7,11-16H2,1-2H3/t18-/m1/s1
| Molecular Formula | C29H30F5N5O2 |
| Molecular Weight | 575.5728 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 18:49:55 GMT 2025
by
admin
on
Wed Apr 02 18:49:55 GMT 2025
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| Record UNII |
KN68V2TW9G
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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155190726
Created by
admin on Wed Apr 02 18:49:55 GMT 2025 , Edited by admin on Wed Apr 02 18:49:55 GMT 2025
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PRIMARY | |||
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KN68V2TW9G
Created by
admin on Wed Apr 02 18:49:55 GMT 2025 , Edited by admin on Wed Apr 02 18:49:55 GMT 2025
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PRIMARY | |||
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2503325-21-9
Created by
admin on Wed Apr 02 18:49:55 GMT 2025 , Edited by admin on Wed Apr 02 18:49:55 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> ENANTIOMER |
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RACEMATE -> ENANTIOMER |
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![Structure of 6-[[(3S)-4,4-Difluoro-3-methyl-1-piperidinyl]methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-1H-isoindol-1-one](/img/1e7d2f3c-e78c-4542-84a9-382a2b2c405f.svg "Structure of 6-[[(3S)-4,4-Difluoro-3-methyl-1-piperidinyl]methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-1H-isoindol-1-one")
![Structure of 6-[(4,4-Difluoro-3-methyl-1-piperidinyl)methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-1H-isoindol-1-one](/img/ca538720-e6e0-4ef4-b61e-b3723b17b0e8.svg "Structure of 6-[(4,4-Difluoro-3-methyl-1-piperidinyl)methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-1H-isoindol-1-one")