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

Systemtic Name: 1-[1-(2-chloranyl-6-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pent-4-en-1-one Openeye Name: 1-[1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pent-4-en-1-one CAS Name: 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-penten-1-one IUPAC Name: 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pent-4-en-1-one Traditional Name: 1-[1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pent-4-en-1-one Formula: C22H23ClFNO3 MolecularWeight: 403.874323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC=C)C3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC=C)C3=C(C=CC=C3Cl)F)OC

InChI

InChI=1S/C22H23ClFNO3/c1-4-5-9-20(26)25-11-10-14-12-18(27-2)19(28-3)13-15(14)22(25)21-16(23)7-6-8-17(21)24/h4,6-8,12-13,22H,1,5,9-11H2,2-3H3