1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-4-(4-pentoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-amoxyphenyl)-4-[4-(6-nitro-3-pyridyl)piperazino]butane-1,4-dione Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5/c1-2-3-4-17-33-21-8-5-19(6-9-21)22(29)10-12-24(30)27-15-13-26(14-16-27)20-7-11-23(25-18-20)28(31)32/h5-9,11,18H,2-4,10,12-17H2,1H3