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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H23ClN2O3
Molecular Weight 446.925
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-4-methylbenzamide

SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(C)=C(C=C2)C(=O)N3CCCC(=O)C4=CC(Cl)=CC=C34

InChI

InChIKey=XWENONMFAYKGEN-UHFFFAOYSA-N
InChI=1S/C26H23ClN2O3/c1-16-5-7-18(8-6-16)25(31)28-20-10-11-21(17(2)14-20)26(32)29-13-3-4-24(30)22-15-19(27)9-12-23(22)29/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,31)

HIDE SMILES / InChI

Molecular Formula C26H23ClN2O3
Molecular Weight 446.925
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:20:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:06 GMT 2023
Record UNII
KC34D5A8WZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-4-methylbenzamide
Systematic Name English
1-[2-Methyl-4-(4-methylbenzoylamino)benzoyl]-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
Systematic Name English
Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-4-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
71767408
Created by admin on Sat Dec 16 19:20:06 GMT 2023 , Edited by admin on Sat Dec 16 19:20:06 GMT 2023
PRIMARY
CAS
1580889-24-2
Created by admin on Sat Dec 16 19:20:06 GMT 2023 , Edited by admin on Sat Dec 16 19:20:06 GMT 2023
PRIMARY
FDA UNII
KC34D5A8WZ
Created by admin on Sat Dec 16 19:20:06 GMT 2023 , Edited by admin on Sat Dec 16 19:20:06 GMT 2023
PRIMARY