2-(4-butan-2-ylphenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-butan-2-ylphenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]-2-(4-sec-butylphenoxy)ethanone CAS Name: 2-(4-butan-2-ylphenoxy)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-butan-2-ylphenoxy)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-nitro-3-piperidino-phenyl)piperazino]-2-(4-sec-butylphenoxy)ethanone Formula: C27H36N4O4 MolecularWeight: 480.59914

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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-])N4CCCCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C27H36N4O4/c1-3-21(2)22-7-10-24(11-8-22)35-20-27(32)30-17-15-28(16-18-30)23-9-12-25(31(33)34)26(19-23)29-13-5-4-6-14-29/h7-12,19,21H,3-6,13-18,20H2,1-2H3