3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-6-isopropyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-6-isopropyl-3-[[4-(4-nitrophenyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H25N3O4/c1-15(2)16-3-4-17(21(26)20(25)13-16)14-22-9-11-23(12-10-22)18-5-7-19(8-6-18)24(27)28/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26)