4a,5-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxidanyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Systemtic Name: 4a,5-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxidanyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one Openeye Name: 4-hydroxy-4a,5-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one CAS Name: 4-hydroxy-4a,5-dimethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one IUPAC Name: 4-hydroxy-4a,5-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one Traditional Name: 4-hydroxy-4a,5-dimethyl-3-[[4-(4-nitrophenyl)piperazino]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C2C1(C(C3C(C2)OC(=O)C3CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])O)C

Isomeric SMILES

CC1CCC=C2C1(C(C3C(C2)OC(=O)C3CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])O)C

InChI

InChI=1S/C25H33N3O5/c1-16-4-3-5-17-14-21-22(23(29)25(16,17)2)20(24(30)33-21)15-26-10-12-27(13-11-26)18-6-8-19(9-7-18)28(31)32/h5-9,16,20-23,29H,3-4,10-15H2,1-2H3