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

Systemtic Name: 1-butyl-3-oxidanylidene-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-butyl-3-oxo-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-butyl-3-oxo-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-butyl-3-oxo-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-butyl-3-keto-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C19H21N3O MolecularWeight: 307.38954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CC(CCC2=C(C(=O)N1)C#N)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=C2CC(CCC2=C(C(=O)N1)C#N)C3=CC=NC=C3

InChI

InChI=1S/C19H21N3O/c1-2-3-4-18-16-11-14(13-7-9-21-10-8-13)5-6-15(16)17(12-20)19(23)22-18/h7-10,14H,2-6,11H2,1H3,(H,22,23)