3-(4-dimethylaminophenyl)-2-methyl-5-oxidanylidene-7-phenyl-3,4-dihydro-1H-1,2-diazepine-6-carbonitrile

Systemtic Name: 3-(4-dimethylaminophenyl)-2-methyl-5-oxidanylidene-7-phenyl-3,4-dihydro-1H-1,2-diazepine-6-carbonitrile Openeye Name: 3-(4-dimethylaminophenyl)-2-methyl-5-oxo-7-phenyl-3,4-dihydro-1H-diazepine-6-carbonitrile CAS Name: 3-(4-dimethylaminophenyl)-2-methyl-5-oxo-7-phenyl-3,4-dihydro-1H-diazepine-6-carbonitrile IUPAC Name: 3-(4-dimethylaminophenyl)-2-methyl-5-oxo-7-phenyl-3,4-dihydro-1H-diazepine-6-carbonitrile Traditional Name: 3-(4-dimethylaminophenyl)-5-keto-2-methyl-7-phenyl-3,4-dihydro-1H-diazepine-6-carbonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H22N4O/c1-24(2)17-11-9-15(10-12-17)19-13-20(26)18(14-22)21(23-25(19)3)16-7-5-4-6-8-16/h4-12,19,23H,13H2,1-3H3