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

Systemtic Name: (4-butoxy-3-methoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-butoxy-3-methoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (4-butoxy-3-methoxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-butoxy-3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-butoxy-3-methoxy-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H27N3O5 MolecularWeight: 413.46688

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-3-4-15-30-20-10-5-17(16-21(20)29-2)22(26)24-13-11-23(12-14-24)18-6-8-19(9-7-18)25(27)28/h5-10,16H,3-4,11-15H2,1-2H3