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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-2-oxidanylidene-1-propyl-pyridine-3-carbonitrile Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-2-oxo-1-propyl-pyridine-3-carbonitrile CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-2-oxo-1-propyl-3-pyridinecarbonitrile IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-2-oxo-1-propylpyridine-3-carbonitrile Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-6-methyl-1-propyl-nicotinonitrile Formula: C19H21N3O MolecularWeight: 307.38954

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C(C1=O)C#N)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCCN1C(=CC(=C(C1=O)C#N)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C19H21N3O/c1-3-9-22-14(2)11-18(17(12-20)19(22)23)21-10-8-15-6-4-5-7-16(15)13-21/h4-7,11H,3,8-10,13H2,1-2H3