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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H21N5O2S/c22-10-7-15-3-5-17(6-4-15)23-21(27)16-8-11-26(12-9-16)14-19-24-20(25-28-19)18-2-1-13-29-18/h1-6,13,16H,7-9,11-12,14H2,(H,23,27)