6-methyl-9-methylidene-3-[[4-(4-methyl-3-nitro-phenyl)piperazin-1-yl]methyl]-3,3a,4,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

Systemtic Name: 6-methyl-9-methylidene-3-[[4-(4-methyl-3-nitro-phenyl)piperazin-1-yl]methyl]-3,3a,4,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one Openeye Name: 6-methyl-9-methylene-3-[[4-(4-methyl-3-nitro-phenyl)piperazin-1-yl]methyl]-3,3a,4,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one CAS Name: 6-methyl-9-methylene-3-[[4-(4-methyl-3-nitrophenyl)-1-piperazinyl]methyl]-3,3a,4,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one IUPAC Name: 6-methyl-9-methylidene-3-[[4-(4-methyl-3-nitrophenyl)piperazin-1-yl]methyl]-3,3a,4,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one Traditional Name: 6-methyl-9-methylene-3-[[4-(4-methyl-3-nitro-phenyl)piperazino]methyl]-3,3a,4,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C(=O)OC2C3C1CCC3=C)CN4CCN(CC4)C5=CC(=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CCC2C(C(=O)OC2C3C1CCC3=C)CN4CCN(CC4)C5=CC(=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C26H33N3O4/c1-16-5-9-21-22(26(30)33-25(21)24-18(3)6-8-20(16)24)15-27-10-12-28(13-11-27)19-7-4-17(2)23(14-19)29(31)32/h4-5,7,14,20-22,24-25H,3,6,8-13,15H2,1-2H3