3-[4-(dimethylamino)piperidin-1-yl]-1-oxidanylidene-2H-isoquinoline-5-carbonitrile

Systemtic Name: 3-[4-(dimethylamino)piperidin-1-yl]-1-oxidanylidene-2H-isoquinoline-5-carbonitrile Openeye Name: 3-[4-(dimethylamino)-1-piperidyl]-1-oxo-2H-isoquinoline-5-carbonitrile CAS Name: 3-[4-(dimethylamino)-1-piperidinyl]-1-oxo-2H-isoquinoline-5-carbonitrile IUPAC Name: 3-[4-(dimethylamino)piperidin-1-yl]-1-oxo-2H-isoquinoline-5-carbonitrile Traditional Name: 3-[4-(dimethylamino)piperidino]-1-keto-2H-isoquinoline-5-carbonitrile Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)C2=CC3=C(C=CC=C3C(=O)N2)C#N

Isomeric SMILES

CN(C)C1CCN(CC1)C2=CC3=C(C=CC=C3C(=O)N2)C#N

InChI

InChI=1S/C17H20N4O/c1-20(2)13-6-8-21(9-7-13)16-10-15-12(11-18)4-3-5-14(15)17(22)19-16/h3-5,10,13H,6-9H2,1-2H3,(H,19,22)