5-(4-chlorophenyl)carbonyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)carbonyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Openeye Name: 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile IUPAC Name: 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Traditional Name: 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1CC(NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H16ClN3O/c1-12-10-15(11-20)21-16-4-2-3-5-17(16)22(12)18(23)13-6-8-14(19)9-7-13/h2-9,12,15,21H,10H2,1H3