2-[2,3-bis(fluoranyl)phenyl]-5-[[2,6-bis[4-methoxy-2-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]imidazo[4,5-d]pyridazine

Systemtic Name: 2-[2,3-bis(fluoranyl)phenyl]-5-[[2,6-bis[4-methoxy-2-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]imidazo[4,5-d]pyridazine Openeye Name: 5-[[2,6-bis[4-methoxy-2-(trifluoromethyl)phenyl]-3-pyridyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine CAS Name: 5-[[2,6-bis[4-methoxy-2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine IUPAC Name: 5-[[2,6-bis[4-methoxy-2-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine Traditional Name: 5-[[2,6-bis[4-methoxy-2-(trifluoromethyl)phenyl]-3-pyridyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine Formula: C33H21F8N5O2 MolecularWeight: 671.539366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC(=C(C=C2)CN3C=C4C(=NC(=N4)C5=C(C(=CC=C5)F)F)C=N3)C6=C(C=C(C=C6)OC)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC(=C(C=C2)CN3C=C4C(=NC(=N4)C5=C(C(=CC=C5)F)F)C=N3)C6=C(C=C(C=C6)OC)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C33H21F8N5O2/c1-47-18-7-9-20(23(12-18)32(36,37)38)26-11-6-17(30(43-26)21-10-8-19(48-2)13-24(21)33(39,40)41)15-46-16-28-27(14-42-46)44-31(45-28)22-4-3-5-25(34)29(22)35/h3-14,16H,15H2,1-2H3