1-pyrazin-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-pyrazin-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-pyrazin-2-yl-N-[4-(3-pyridylmethylsulfanyl)phenyl]piperidine-3-carboxamide CAS Name: 1-(2-pyrazinyl)-N-[4-(3-pyridinylmethylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-pyrazin-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-pyrazin-2-yl-N-[4-(3-pyridylmethylthio)phenyl]nipecotamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H23N5OS/c28-22(18-4-2-12-27(15-18)21-14-24-10-11-25-21)26-19-5-7-20(8-6-19)29-16-17-3-1-9-23-13-17/h1,3,5-11,13-14,18H,2,4,12,15-16H2,(H,26,28)