3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-p-anisoyl-acrylonitrile Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CN2CCC3=CC=CC=C3C2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(=CN2CCC3=CC=CC=C3C2)C#N

InChI

InChI=1S/C20H18N2O2/c1-24-19-8-6-16(7-9-19)20(23)18(12-21)14-22-11-10-15-4-2-3-5-17(15)13-22/h2-9,14H,10-11,13H2,1H3