N-(2-cyanophenyl)-N-[2-[4-(2-methoxy-4-nitro-phenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide

Systemtic Name: N-(2-cyanophenyl)-N-[2-[4-(2-methoxy-4-nitro-phenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide Openeye Name: N-(2-cyanophenyl)-N-[2-[4-(2-methoxy-4-nitro-phenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide CAS Name: N-(2-cyanophenyl)-N-[2-[4-(2-methoxy-4-nitrophenyl)-1-piperazinyl]ethyl]cyclohexanecarboxamide IUPAC Name: N-(2-cyanophenyl)-N-[2-[4-(2-methoxy-4-nitrophenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide Traditional Name: N-(2-cyanophenyl)-N-[2-[4-(2-methoxy-4-nitro-phenyl)piperazino]ethyl]cyclohexanecarboxamide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CCN(C3=CC=CC=C3C#N)C(=O)C4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CCN(C3=CC=CC=C3C#N)C(=O)C4CCCCC4

InChI

InChI=1S/C27H33N5O4/c1-36-26-19-23(32(34)35)11-12-25(26)30-16-13-29(14-17-30)15-18-31(24-10-6-5-9-22(24)20-28)27(33)21-7-3-2-4-8-21/h5-6,9-12,19,21H,2-4,7-8,13-18H2,1H3