N-[4-(cyanomethyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]nipecotamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC(=NO2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1CC(CN(C1)CC2=NC(=NO2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C21H21N5O2S/c22-10-9-15-5-7-17(8-6-15)23-21(27)16-3-1-11-26(13-16)14-19-24-20(25-28-19)18-4-2-12-29-18/h2,4-8,12,16H,1,3,9,11,13-14H2,(H,23,27)