1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,5,5-trimethyl-hexan-1-one Formula: C24H30ClNO MolecularWeight: 383.9541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClNO/c1-17(16-24(2,3)4)15-22(27)26-14-13-18-7-5-6-8-21(18)23(26)19-9-11-20(25)12-10-19/h5-12,17,23H,13-16H2,1-4H3