N-(1,3-benzodioxol-5-yl)-1-(2-chloranyl-6-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-chloranyl-6-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C25H22ClFN2O5 MolecularWeight: 484.903983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC4=C(C=C3)OCO4)C5=C(C=CC=C5Cl)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC4=C(C=C3)OCO4)C5=C(C=CC=C5Cl)F)OC

InChI

InChI=1S/C25H22ClFN2O5/c1-31-20-10-14-8-9-29(25(30)28-15-6-7-19-22(11-15)34-13-33-19)24(16(14)12-21(20)32-2)23-17(26)4-3-5-18(23)27/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,28,30)