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

Systemtic Name: 3-azanylidene-2-(4-ethylphenyl)-6,6-dimethyl-8-oxidanylidene-5,7-dihydroisoquinoline-4-carbonitrile Openeye Name: 2-(4-ethylphenyl)-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinoline-4-carbonitrile CAS Name: 2-(4-ethylphenyl)-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinoline-4-carbonitrile IUPAC Name: 2-(4-ethylphenyl)-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinoline-4-carbonitrile Traditional Name: 2-(4-ethylphenyl)-3-imino-8-keto-6,6-dimethyl-5,7-dihydroisoquinoline-4-carbonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=C3C(=C(C2=N)C#N)CC(CC3=O)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=C3C(=C(C2=N)C#N)CC(CC3=O)(C)C

InChI

InChI=1S/C20H21N3O/c1-4-13-5-7-14(8-6-13)23-12-17-15(16(11-21)19(23)22)9-20(2,3)10-18(17)24/h5-8,12,22H,4,9-10H2,1-3H3