2-(4-butan-2-ylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-butan-2-ylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(4-sec-butylphenoxy)ethanone CAS Name: 2-(4-butan-2-ylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-butan-2-ylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(4-sec-butylphenoxy)ethanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-3-17(2)18-4-10-21(11-5-18)29-16-22(26)24-14-12-23(13-15-24)19-6-8-20(9-7-19)25(27)28/h4-11,17H,3,12-16H2,1-2H3