N-(cyanomethyl)-1-[[4-(4-piperazin-1-ylphenyl)phenyl]amino]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[[4-(4-piperazin-1-ylphenyl)phenyl]amino]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-1-[4-(4-piperazin-1-ylphenyl)anilino]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-1-[4-[4-(1-piperazinyl)phenyl]anilino]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-1-[4-(4-piperazin-1-ylphenyl)anilino]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-1-[4-(4-piperazinophenyl)anilino]cyclohexanecarboxamide Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC#N)NC2=CC=C(C=C2)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC2=CC=C(C=C2)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C25H31N5O/c26-14-15-28-24(31)25(12-2-1-3-13-25)29-22-8-4-20(5-9-22)21-6-10-23(11-7-21)30-18-16-27-17-19-30/h4-11,27,29H,1-3,12-13,15-19H2,(H,28,31)