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

Systemtic Name: 1-methyl-3-oxidanylidene-7-pyridin-3-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-methyl-3-oxo-7-(3-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-methyl-3-oxo-7-(3-pyridinyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-oxo-7-pyridin-3-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 3-keto-1-methyl-7-(3-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C16H15N3O MolecularWeight: 265.3098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(CCC2=C(C(=O)N1)C#N)C3=CN=CC=C3

Isomeric SMILES

CC1=C2CC(CCC2=C(C(=O)N1)C#N)C3=CN=CC=C3

InChI

InChI=1S/C16H15N3O/c1-10-14-7-11(12-3-2-6-18-9-12)4-5-13(14)15(8-17)16(20)19-10/h2-3,6,9,11H,4-5,7H2,1H3,(H,19,20)