(4-butoxyphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazino]methanone Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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