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

Systemtic Name: 1-[1-(2-chloranyl-6-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-hexan-1-one CAS Name: 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylhexan-1-one Traditional Name: 1-[1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethyl-hexan-1-one Formula: C25H31ClFNO3 MolecularWeight: 447.969943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC=C3Cl)F)OC)OC

Isomeric SMILES

CCCCC(CC)C(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC=C3Cl)F)OC)OC

InChI

InChI=1S/C25H31ClFNO3/c1-5-7-9-16(6-2)25(29)28-13-12-17-14-21(30-3)22(31-4)15-18(17)24(28)23-19(26)10-8-11-20(23)27/h8,10-11,14-16,24H,5-7,9,12-13H2,1-4H3