2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 2-ethyl-1-[1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 2-ethyl-1-[1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C22H27NO MolecularWeight: 321.45588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO/c1-4-17(5-2)22(24)23-15-14-18-8-6-7-9-20(18)21(23)19-12-10-16(3)11-13-19/h6-13,17,21H,4-5,14-15H2,1-3H3