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

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

CC=C(C)C(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)C

Isomeric SMILES

C/C=C(\C)/C(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO/c1-4-16(3)21(23)22-14-13-17-7-5-6-8-19(17)20(22)18-11-9-15(2)10-12-18/h4-12,20H,13-14H2,1-3H3/b16-4+