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

Systemtic Name: 1-methyl-3-oxidanylidene-6-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-methyl-3-oxo-6-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-methyl-3-oxo-6-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-oxo-6-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 3-keto-1-methyl-6-(4-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=C2CCC(CC2=C(C(=O)N1)C#N)C3=CC=NC=C3

Isomeric SMILES

CC1=C2CCC(CC2=C(C(=O)N1)C#N)C3=CC=NC=C3

InChI

InChI=1S/C16H15N3O/c1-10-13-3-2-12(11-4-6-18-7-5-11)8-14(13)15(9-17)16(20)19-10/h4-7,12H,2-3,8H2,1H3,(H,19,20)