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

Systemtic Name: 2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexan-1-one Openeye Name: 2-ethyl-1-[1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexan-1-one CAS Name: 2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexan-1-one Traditional Name: 2-ethyl-1-[1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexan-1-one Formula: C24H31NO MolecularWeight: 349.50904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO/c1-4-6-9-19(5-2)24(26)25-17-16-20-10-7-8-11-22(20)23(25)21-14-12-18(3)13-15-21/h7-8,10-15,19,23H,4-6,9,16-17H2,1-3H3