1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-butan-1-one

Systemtic Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-butan-1-one Openeye Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-butan-1-one CAS Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-1-butanone IUPAC Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one Traditional Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-butan-1-one Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO3/c1-5-14(2)22(25)24-10-9-15-12-19(26-3)20(27-4)13-18(15)21(24)16-7-6-8-17(23)11-16/h6-8,11-14,21H,5,9-10H2,1-4H3