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

Systemtic Name: 2-(4-ethylphenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-ethylphenoxy)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-ethylphenoxy)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethylphenoxy)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-ethylphenoxy)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]ethanone Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C25H32N4O4/c1-2-20-6-9-22(10-7-20)33-19-25(30)28-16-14-26(15-17-28)21-8-11-23(29(31)32)24(18-21)27-12-4-3-5-13-27/h6-11,18H,2-5,12-17,19H2,1H3