(4-butoxy-3-ethoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxy-3-ethoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-butoxy-3-ethoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (4-butoxy-3-ethoxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-butoxy-3-ethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-butoxy-3-ethoxy-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C23H29N3O5/c1-3-5-16-31-21-11-6-18(17-22(21)30-4-2)23(27)25-14-12-24(13-15-25)19-7-9-20(10-8-19)26(28)29/h6-11,17H,3-5,12-16H2,1-2H3