1-methyl-4-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 1-methyl-4-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 1-methyl-4-[(E)-3-(p-tolyl)prop-2-enoyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 1-methyl-4-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 1-methyl-4-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 1-methyl-4-[(E)-3-(p-tolyl)acryloyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)C2=C3CCCCC3=C(NC2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)C2=C3CCCCC3=C(NC2=O)C

InChI

InChI=1S/C20H21NO2/c1-13-7-9-15(10-8-13)11-12-18(22)19-17-6-4-3-5-16(17)14(2)21-20(19)23/h7-12H,3-6H2,1-2H3,(H,21,23)/b12-11+