(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-[2,3,4-tris(fluoranyl)phenyl]spiro[3,4,6,8-tetrahydro-2H-pyrido[2,1-c][1,2,4]triazine-7,3'-oxetane]

Systemtic Name: (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-[2,3,4-tris(fluoranyl)phenyl]spiro[3,4,6,8-tetrahydro-2H-pyrido[2,1-c][1,2,4]triazine-7,3'-oxetane] Openeye Name: (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylene]-4-(2,3,4-trifluorophenyl)spiro[3,4,6,8-tetrahydro-2H-pyrido[2,1-c][1,2,4]triazine-7,3'-oxetane] CAS Name: (9E)-9-[[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]methylidene]-4-(2,3,4-trifluorophenyl)spiro[3,4,6,8-tetrahydro-2H-pyrido[2,1-c][1,2,4]triazine-7,3'-oxetane] IUPAC Name: (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2,3,4-trifluorophenyl)spiro[3,4,6,8-tetrahydro-2H-pyrido[2,1-c][1,2,4]triazine-7,3'-oxetane] Traditional Name: (9E)-9-[3-methoxy-4-(4-methylimidazol-1-yl)benzylidene]-4-(2,3,4-trifluorophenyl)spiro[3,4,6,8-tetrahydro-2H-pyrido[2,1-c][1,2,4]triazine-7,3'-oxetane] Formula: C27H26F3N5O2 MolecularWeight: 509.52285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CC4(CN5C3=NNCC5C6=C(C(=C(C=C6)F)F)F)COC4)OC

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CC4(CN5C3=NNCC5C6=C(C(=C(C=C6)F)F)F)COC4)OC

InChI

InChI=1S/C27H26F3N5O2/c1-16-11-34(15-31-16)21-6-3-17(8-23(21)36-2)7-18-9-27(13-37-14-27)12-35-22(10-32-33-26(18)35)19-4-5-20(28)25(30)24(19)29/h3-8,11,15,22,32H,9-10,12-14H2,1-2H3/b18-7+