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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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