3-azanylidene-2-(4-chlorophenyl)-6,6-dimethyl-8-oxidanylidene-5,7-dihydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanylidene-2-(4-chlorophenyl)-6,6-dimethyl-8-oxidanylidene-5,7-dihydroisoquinoline-4-carbonitrile Openeye Name: 2-(4-chlorophenyl)-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinoline-4-carbonitrile CAS Name: 2-(4-chlorophenyl)-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinoline-4-carbonitrile IUPAC Name: 2-(4-chlorophenyl)-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinoline-4-carbonitrile Traditional Name: 2-(4-chlorophenyl)-3-imino-8-keto-6,6-dimethyl-5,7-dihydroisoquinoline-4-carbonitrile Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=N)N(C=C2C(=O)C1)C3=CC=C(C=C3)Cl)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=N)N(C=C2C(=O)C1)C3=CC=C(C=C3)Cl)C#N)C

InChI

InChI=1S/C18H16ClN3O/c1-18(2)7-13-14(9-20)17(21)22(10-15(13)16(23)8-18)12-5-3-11(19)4-6-12/h3-6,10,21H,7-8H2,1-2H3