1-pyrazin-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]piperidine-3-carboxamide

Systemtic Name: 1-pyrazin-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]piperidine-3-carboxamide Openeye Name: 1-pyrazin-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]piperidine-3-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: 1-pyrazin-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]piperidine-3-carboxamide Traditional Name: 1-pyrazin-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]nipecotamide Formula: C21H24N8O2 MolecularWeight: 420.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3)N4C=NC=N4

InChI

InChI=1S/C21H24N8O2/c1-15(29-14-23-13-25-29)20(30)26-17-4-6-18(7-5-17)27-21(31)16-3-2-10-28(12-16)19-11-22-8-9-24-19/h4-9,11,13-16H,2-3,10,12H2,1H3,(H,26,30)(H,27,31)