1-ethyl-3-oxidanylidene-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-oxidanylidene-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-oxo-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-oxo-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-oxo-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-keto-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CC(CCC2=C(C(=O)N1)C#N)C3=CC=NC=C3

Isomeric SMILES

CCC1=C2CC(CCC2=C(C(=O)N1)C#N)C3=CC=NC=C3

InChI

InChI=1S/C17H17N3O/c1-2-16-14-9-12(11-5-7-19-8-6-11)3-4-13(14)15(10-18)17(21)20-16/h5-8,12H,2-4,9H2,1H3,(H,20,21)