1-cyclobutyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanyl-1-phenyl-propan-2-one dihydrochloride

Systemtic Name: 1-cyclobutyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanyl-1-phenyl-propan-2-one dihydrochloride Openeye Name: 1-cyclobutyl-1-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenyl-propan-2-one dihydrochloride CAS Name: 1-cyclobutyl-1-hydroxy-3-[4-(4-nitrophenyl)-1-piperazinyl]-1-phenyl-2-propanone dihydrochloride IUPAC Name: 1-cyclobutyl-1-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenylpropan-2-one dihydrochloride Traditional Name: 1-cyclobutyl-1-hydroxy-3-[4-(4-nitrophenyl)piperazino]-1-phenyl-acetone dihydrochloride Formula: C23H29Cl2N3O4 MolecularWeight: 482.40006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])O.Cl.Cl

Isomeric SMILES

C1CC(C1)C(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])O.Cl.Cl

InChI

InChI=1S/C23H27N3O4.2ClH/c27-22(23(28,19-7-4-8-19)18-5-2-1-3-6-18)17-24-13-15-25(16-14-24)20-9-11-21(12-10-20)26(29)30;;/h1-3,5-6,9-12,19,28H,4,7-8,13-17H2;2*1H