3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenecarbonitrile Openeye Name: 3-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile CAS Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]benzonitrile IUPAC Name: 3-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile Traditional Name: 3-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC(=C3)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC(=C3)C#N)OCC

InChI

InChI=1S/C21H22N2O3/c1-3-25-19-11-16-8-9-23(14-18(16)12-20(19)26-4-2)21(24)17-7-5-6-15(10-17)13-22/h5-7,10-12H,3-4,8-9,14H2,1-2H3