4-[4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]phenyl]butan-2-one CAS Name: 4-[4-[2-hydroxy-3-[4-(4-nitrophenyl)-1-piperazinyl]propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]phenyl]butan-2-one Traditional Name: 4-[4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazino]propoxy]phenyl]butan-2-one Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H29N3O5/c1-18(27)2-3-19-4-10-23(11-5-19)31-17-22(28)16-24-12-14-25(15-13-24)20-6-8-21(9-7-20)26(29)30/h4-11,22,28H,2-3,12-17H2,1H3