3-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one CAS Name: 3-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-buten-1-one IUPAC Name: 3-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one Traditional Name: 3-methyl-1-[1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one Formula: C21H23NO MolecularWeight: 305.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CC=C3CCN2C(=O)C=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CC=C3CCN2C(=O)C=C(C)C

InChI

InChI=1S/C21H23NO/c1-15(2)14-20(23)22-13-12-17-6-4-5-7-19(17)21(22)18-10-8-16(3)9-11-18/h4-11,14,21H,12-13H2,1-3H3