N-(cyanomethyl)-1-[[3-(4-piperazin-1-ylphenyl)phenyl]amino]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[[3-(4-piperazin-1-ylphenyl)phenyl]amino]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)anilino]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-1-[3-[4-(1-piperazinyl)phenyl]anilino]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)anilino]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-1-[3-(4-piperazinophenyl)anilino]cyclohexanecarboxamide Formula: C25H31N5O MolecularWeight: 417.54654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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