9-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[3,4,5-tris(fluoranyl)phenyl]-4,6,7,8-tetrahydro-3H-[1,2,4]oxadiazino[4,3-a]azepine

Systemtic Name: 9-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[3,4,5-tris(fluoranyl)phenyl]-4,6,7,8-tetrahydro-3H-[1,2,4]oxadiazino[4,3-a]azepine Openeye Name: 9-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-(3,4,5-trifluorophenyl)-4,6,7,8-tetrahydro-3H-[1,2,4]oxadiazino[4,3-a]azepine CAS Name: 9-[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]-4-methyl-3-(3,4,5-trifluorophenyl)-4,6,7,8-tetrahydro-3H-[1,2,4]oxadiazino[4,3-a]azepine IUPAC Name: 9-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-(3,4,5-trifluorophenyl)-4,6,7,8-tetrahydro-3H-[1,2,4]oxadiazino[4,3-a]azepine Traditional Name: 9-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-(3,4,5-trifluorophenyl)-4,6,7,8-tetrahydro-3H-[1,2,4]oxadiazin[4,3-a]azepine Formula: C26H25F3N4O2 MolecularWeight: 482.49751

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(ON=C2N1CCCC(=C2)C3=CC(=C(C=C3)N4C=C(N=C4)C)OC)C5=CC(=C(C(=C5)F)F)F

Isomeric SMILES

CC1C(ON=C2N1CCCC(=C2)C3=CC(=C(C=C3)N4C=C(N=C4)C)OC)C5=CC(=C(C(=C5)F)F)F

InChI

InChI=1S/C26H25F3N4O2/c1-15-13-32(14-30-15)22-7-6-18(11-23(22)34-3)17-5-4-8-33-16(2)26(35-31-24(33)12-17)19-9-20(27)25(29)21(28)10-19/h6-7,9-14,16,26H,4-5,8H2,1-3H3