(E)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(4-methylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(4-methylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(p-tolyl)prop-2-enenitrile CAS Name: (E)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(4-methylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(4-methylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(p-tolyl)acrylonitrile Formula: C20H18N2O MolecularWeight: 302.36972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H18N2O/c1-15-6-8-16(9-7-15)12-19(13-21)20(23)22-11-10-17-4-2-3-5-18(17)14-22/h2-9,12H,10-11,14H2,1H3/b19-12+