2-methyl-4-[(2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[(2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)carbonyl]benzenecarbonitrile Openeye Name: 2-methyl-4-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)benzonitrile CAS Name: 2-methyl-4-[oxo-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)methyl]benzonitrile IUPAC Name: 2-methyl-4-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)benzonitrile Traditional Name: 4-(2-keto-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)-2-methyl-benzonitrile Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC(=O)NC3=CC=CC=C32)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC(=O)NC3=CC=CC=C32)C#N

InChI

InChI=1S/C18H15N3O2/c1-12-10-13(6-7-14(12)11-19)18(23)21-9-8-17(22)20-15-4-2-3-5-16(15)21/h2-7,10H,8-9H2,1H3,(H,20,22)