N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-piperazin-1-ylphenyl)benzamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-piperazin-1-ylphenyl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-piperazin-1-ylphenyl)benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[4-(1-piperazinyl)phenyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-piperazin-1-ylphenyl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-piperazinophenyl)benzamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2/c27-14-15-29-25(33)26(12-2-1-3-13-26)30-24(32)22-6-4-20(5-7-22)21-8-10-23(11-9-21)31-18-16-28-17-19-31/h4-11,28H,1-3,12-13,15-19H2,(H,29,33)(H,30,32)