N-(cyanomethyl)-2-[3-(4-piperazin-1-ylphenyl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[3-(4-piperazin-1-ylphenyl)phenyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[3-(4-piperazin-1-ylphenyl)phenyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[3-[4-(1-piperazinyl)phenyl]phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[3-(4-piperazin-1-ylphenyl)phenyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[3-(4-piperazinophenyl)phenyl]cyclohexanecarboxamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

Isomeric SMILES

C1CCC(C(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

InChI

InChI=1S/C25H30N4O/c26-12-13-28-25(30)24-7-2-1-6-23(24)21-5-3-4-20(18-21)19-8-10-22(11-9-19)29-16-14-27-15-17-29/h3-5,8-11,18,23-24,27H,1-2,6-7,13-17H2,(H,28,30)