U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C26H24ClN3O3
Molecular Weight 461.94
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Amino-2-methylbenzoyl)-7-chloro-2,3-dihydro-1H-1-benzazepin-5-yl 4-amino-2-methylbenzoate

SMILES

CC1=C(C=CC(N)=C1)C(=O)OC2=CCCN(C(=O)C3=C(C)C=C(N)C=C3)C4=CC=C(Cl)C=C24

InChI

InChIKey=VBJOPOPXKGEFCP-UHFFFAOYSA-N
InChI=1S/C26H24ClN3O3/c1-15-12-18(28)6-8-20(15)25(31)30-11-3-4-24(22-14-17(27)5-10-23(22)30)33-26(32)21-9-7-19(29)13-16(21)2/h4-10,12-14H,3,11,28-29H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(4-Amino-2-methylbenzoyl)-7-chloro-2,3-dihydro-1H-1-benzazepin-5-yl 4-amino-2-methylbenzoate
Systematic Name English
Benzoic acid, 4-amino-2-methyl-, 1-(4-amino-2-methylbenzoyl)-7-chloro-2,3-dihydro-1H-1-benzazepin-5-yl ester
Systematic Name English
4-Amino-2-methylbenzoic acid 1-(4-amino-2-methylbenzoyl)-7-chloro-2,3-dihydro-1H-benzo[b]azepin-5-yl ester
Systematic Name English
Code System Code Type Description
CAS
1580889-35-5
Created by admin on Sat Dec 16 19:15:02 GMT 2023 , Edited by admin on Sat Dec 16 19:15:02 GMT 2023
PRIMARY
FDA UNII
V3CPN3MY7G
Created by admin on Sat Dec 16 19:15:02 GMT 2023 , Edited by admin on Sat Dec 16 19:15:02 GMT 2023
PRIMARY
PUBCHEM
71767693
Created by admin on Sat Dec 16 19:15:02 GMT 2023 , Edited by admin on Sat Dec 16 19:15:02 GMT 2023
PRIMARY