3-(4-chlorophenyl)-5-oxidanylidene-7-phenyl-1,2,3,4-tetrahydro-1,2-diazepine-6-carbonitrile

Systemtic Name: 3-(4-chlorophenyl)-5-oxidanylidene-7-phenyl-1,2,3,4-tetrahydro-1,2-diazepine-6-carbonitrile Openeye Name: 3-(4-chlorophenyl)-5-oxo-7-phenyl-1,2,3,4-tetrahydrodiazepine-6-carbonitrile CAS Name: 3-(4-chlorophenyl)-5-oxo-7-phenyl-1,2,3,4-tetrahydrodiazepine-6-carbonitrile IUPAC Name: 3-(4-chlorophenyl)-5-oxo-7-phenyl-1,2,3,4-tetrahydrodiazepine-6-carbonitrile Traditional Name: 3-(4-chlorophenyl)-5-keto-7-phenyl-1,2,3,4-tetrahydrodiazepine-6-carbonitrile Formula: C18H14ClN3O MolecularWeight: 323.77626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NNC(=C(C1=O)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(NNC(=C(C1=O)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O/c19-14-8-6-12(7-9-14)16-10-17(23)15(11-20)18(22-21-16)13-4-2-1-3-5-13/h1-9,16,21-22H,10H2