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

Systemtic Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-hexan-1-one CAS Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylhexan-1-one Traditional Name: 1-[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-hexan-1-one Formula: C25H32ClNO3 MolecularWeight: 429.97948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClNO3/c1-5-7-9-17(6-2)25(28)27-13-12-18-15-22(29-3)23(30-4)16-21(18)24(27)19-10-8-11-20(26)14-19/h8,10-11,14-17,24H,5-7,9,12-13H2,1-4H3