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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13N3O
Molecular Weight 275.3046
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Cyano-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one

SMILES

CN1C2=CC=C(C=C2C(=NCC1=O)C3=CC=CC=C3)C#N

InChI

InChIKey=PMDUNHOOULGNCQ-UHFFFAOYSA-N
InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
7-Cyano-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
Systematic Name English
1H-1,4-Benzodiazepine-7-carbonitrile, 2,3-dihydro-1-methyl-2-oxo-5-phenyl-
Preferred Name English
2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
19011
Created by admin on Mon Mar 31 17:45:04 GMT 2025 , Edited by admin on Mon Mar 31 17:45:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID70188445
Created by admin on Mon Mar 31 17:45:04 GMT 2025 , Edited by admin on Mon Mar 31 17:45:04 GMT 2025
PRIMARY
CAS
3489-59-6
Created by admin on Mon Mar 31 17:45:04 GMT 2025 , Edited by admin on Mon Mar 31 17:45:04 GMT 2025
PRIMARY
FDA UNII
LE9ZJA433A
Created by admin on Mon Mar 31 17:45:04 GMT 2025 , Edited by admin on Mon Mar 31 17:45:04 GMT 2025
PRIMARY
NIH
NCATS
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