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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26ClN3O3
Molecular Weight 475.967
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BENZYL-7-CHLORO-3-(4-HYDROXYPHENYL)-3-METHYL-5-(PIPERAZIN-1-YL)-1H-QUINOLINE-2,4-DIONE, (S)-

SMILES

C[C@]1(C(=O)N(CC2=CC=CC=C2)C3=C(C1=O)C(=CC(Cl)=C3)N4CCNCC4)C5=CC=C(O)C=C5

InChI

InChIKey=QFOBHYKKXFZEPW-MHZLTWQESA-N
InChI=1S/C27H26ClN3O3/c1-27(19-7-9-21(32)10-8-19)25(33)24-22(30-13-11-29-12-14-30)15-20(28)16-23(24)31(26(27)34)17-18-5-3-2-4-6-18/h2-10,15-16,29,32H,11-14,17H2,1H3/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H26ClN3O3
Molecular Weight 475.967
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 Sat Dec 16 18:59:20 GMT 2023
Edited
by admin
on Sat Dec 16 18:59:20 GMT 2023
Record UNII
9FN27TX5ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BENZYL-7-CHLORO-3-(4-HYDROXYPHENYL)-3-METHYL-5-(PIPERAZIN-1-YL)-1H-QUINOLINE-2,4-DIONE, (S)-
Systematic Name English
2,4(1H,3H)-QUINOLINEDIONE, 7-CHLORO-3-(4-HYDROXYPHENYL)-3-METHYL-1-(PHENYLMETHYL)-5-(1-PIPERAZINYL)-, (3S)-
Systematic Name English
(S)-1-BENZYL-7-CHLORO-3-(4-HYDROXYPHENYL)-3-METHYL-5-(PIPERAZIN-1-YL)-1H-QUINOLINE-2,4-DIONE
Systematic Name English
(3S)-7-CHLORO-3-(4-HYDROXYPHENYL)-3-METHYL-1-(PHENYLMETHYL)-5-(1-PIPERAZINYL)-2,4(1H,3H)-QUINOLINEDIONE
Systematic Name English
Code System Code Type Description
FDA UNII
9FN27TX5ZE
Created by admin on Sat Dec 16 18:59:20 GMT 2023 , Edited by admin on Sat Dec 16 18:59:20 GMT 2023
PRIMARY
PUBCHEM
16059101
Created by admin on Sat Dec 16 18:59:20 GMT 2023 , Edited by admin on Sat Dec 16 18:59:20 GMT 2023
PRIMARY
CAS
929116-82-5
Created by admin on Sat Dec 16 18:59:20 GMT 2023 , Edited by admin on Sat Dec 16 18:59:20 GMT 2023
PRIMARY