Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H18N4O |
| Molecular Weight | 342.3938 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C(N1CCC[C@H]2[C@@H]1CC3=CC=C(C=C23)C#N)C4=CC=C5NC=NC5=C4
InChI
InChIKey=VVZNCSHIBODHMZ-UZLBHIALSA-N
InChI=1S/C21H18N4O/c22-11-13-3-4-14-10-20-16(17(14)8-13)2-1-7-25(20)21(26)15-5-6-18-19(9-15)24-12-23-18/h3-6,8-9,12,16,20H,1-2,7,10H2,(H,23,24)/t16-,20+/m1/s1
| Molecular Formula | C21H18N4O |
| Molecular Weight | 342.3938 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:42:01 GMT 2025
by
admin
on
Mon Mar 31 22:42:01 GMT 2025
|
| Record UNII |
280XKM6Z2K
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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300000042400
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67223373
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1303515-32-3
Created by
admin on Mon Mar 31 22:42:01 GMT 2025 , Edited by admin on Mon Mar 31 22:42:01 GMT 2025
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280XKM6Z2K
Created by
admin on Mon Mar 31 22:42:01 GMT 2025 , Edited by admin on Mon Mar 31 22:42:01 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLITE -> PARENT |
IN VITRO
IN-VITRO
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METABOLITE -> PARENT |
IN VITRO
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
