(3S,6E,8aS)-3-(4-chlorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,3,7,8,8a-hexahydroindolizin-5-one

Systemtic Name: (3S,6E,8aS)-3-(4-chlorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,3,7,8,8a-hexahydroindolizin-5-one Openeye Name: (3S,6E,8aS)-3-(4-chlorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylene]-1,2,3,7,8,8a-hexahydroindolizin-5-one CAS Name: (3S,6E,8aS)-3-(4-chlorophenyl)-6-[[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]methylidene]-1,2,3,7,8,8a-hexahydroindolizin-5-one IUPAC Name: (3S,6E,8aS)-3-(4-chlorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,3,7,8,8a-hexahydroindolizin-5-one Traditional Name: (3S,6E,8aS)-3-(4-chlorophenyl)-6-[3-methoxy-4-(4-methylimidazol-1-yl)benzylidene]indolizidin-5-one Formula: C26H26ClN3O2 MolecularWeight: 447.95654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCC4CCC(N4C3=O)C5=CC=C(C=C5)Cl)OC

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CC[C@H]4CC[C@H](N4C3=O)C5=CC=C(C=C5)Cl)OC

InChI

InChI=1S/C26H26ClN3O2/c1-17-15-29(16-28-17)24-11-3-18(14-25(24)32-2)13-20-6-9-22-10-12-23(30(22)26(20)31)19-4-7-21(27)8-5-19/h3-5,7-8,11,13-16,22-23H,6,9-10,12H2,1-2H3/b20-13+/t22-,23-/m0/s1