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

Systemtic Name: 2-[2,3-bis(fluoranyl)phenyl]-5-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]-3-nitro-phenyl]methyl]imidazo[4,5-d]pyridazine Openeye Name: 2-(2,3-difluorophenyl)-5-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]-3-nitro-phenyl]methyl]imidazo[4,5-d]pyridazine CAS Name: 2-(2,3-difluorophenyl)-5-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]-3-nitrophenyl]methyl]imidazo[4,5-d]pyridazine IUPAC Name: 2-(2,3-difluorophenyl)-5-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]-3-nitrophenyl]methyl]imidazo[4,5-d]pyridazine Traditional Name: 2-(2,3-difluorophenyl)-5-[4-[4-methoxy-2-(trifluoromethyl)phenyl]-3-nitro-benzyl]imidazo[4,5-d]pyridazine Formula: C26H16F5N5O3 MolecularWeight: 541.428956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=C(C=C2)CN3C=C4C(=NC(=N4)C5=C(C(=CC=C5)F)F)C=N3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=C(C=C2)CN3C=C4C(=NC(=N4)C5=C(C(=CC=C5)F)F)C=N3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C26H16F5N5O3/c1-39-15-6-8-16(19(10-15)26(29,30)31)17-7-5-14(9-23(17)36(37)38)12-35-13-22-21(11-32-35)33-25(34-22)18-3-2-4-20(27)24(18)28/h2-11,13H,12H2,1H3