2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=N2)N3CCC4=CC=CC=C4C3)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=N2)N3CCC4=CC=CC=C4C3)C#N)C(=O)C1)C

InChI

InChI=1S/C21H21N3O/c1-21(2)10-18-17(19(25)11-21)9-16(12-22)20(23-18)24-8-7-14-5-3-4-6-15(14)13-24/h3-6,9H,7-8,10-11,13H2,1-2H3