N-(phenylmethyl)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

Systemtic Name: N-(phenylmethyl)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide Openeye Name: N-benzyl-3-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide CAS Name: N-(phenylmethyl)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1-piperidinecarboxamide IUPAC Name: N-benzyl-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide Traditional Name: N-benzyl-3-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)C3=NC(=NN3)C4=CC=NC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)C3=NC(=NN3)C4=CC=NC=C4

InChI

InChI=1S/C20H22N6O/c27-20(22-13-15-5-2-1-3-6-15)26-12-4-7-17(14-26)19-23-18(24-25-19)16-8-10-21-11-9-16/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,22,27)(H,23,24,25)