4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,6-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,6-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,6-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,6-dimethyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1,6-dimethyl-nicotinonitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1C)C#N)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(C(=O)N1C)C#N)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H17N3O/c1-12-9-16(15(10-18)17(21)19(12)2)20-8-7-13-5-3-4-6-14(13)11-20/h3-6,9H,7-8,11H2,1-2H3