2-(4-cyclohexylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-cyclohexylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-cyclohexylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-cyclohexylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-cyclohexylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-cyclohexylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]ethanone Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O5/c1-32-22-11-12-23(24(17-22)28(30)31)26-13-15-27(16-14-26)25(29)18-33-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16,18H2,1H3