N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(4-fluoranylpiperidin-4-yl)phenyl]benzamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(4-fluoranylpiperidin-4-yl)phenyl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(4-fluoro-4-piperidyl)phenyl]benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[4-(4-fluoro-4-piperidinyl)phenyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(4-fluoropiperidin-4-yl)phenyl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(4-fluoro-4-piperidyl)phenyl]benzamide Formula: C27H31FN4O2 MolecularWeight: 462.559043

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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)C4(CCNCC4)F

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCNCC4)F

InChI

InChI=1S/C27H31FN4O2/c28-26(14-17-30-18-15-26)23-10-8-21(9-11-23)20-4-6-22(7-5-20)24(33)32-27(12-2-1-3-13-27)25(34)31-19-16-29/h4-11,30H,1-3,12-15,17-19H2,(H,31,34)(H,32,33)