(4-butoxy-3-methoxy-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxy-3-methoxy-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (4-butoxy-3-methoxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (4-butoxy-3-methoxyphenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (4-butoxy-3-methoxyphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (4-butoxy-3-methoxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N4O5/c1-3-4-13-30-18-7-5-16(14-19(18)29-2)21(26)24-11-9-23(10-12-24)17-6-8-20(22-15-17)25(27)28/h5-8,14-15H,3-4,9-13H2,1-2H3