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

Systemtic Name: N-phenyl-1-[4-(1,2,4-triazol-1-yl)phenyl]carbonyl-piperidine-3-carboxamide Openeye Name: N-phenyl-1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxamide CAS Name: 1-[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: N-phenyl-1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxamide Traditional Name: N-phenyl-1-[4-(1,2,4-triazol-1-yl)benzoyl]nipecotamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c27-20(24-18-6-2-1-3-7-18)17-5-4-12-25(13-17)21(28)16-8-10-19(11-9-16)26-15-22-14-23-26/h1-3,6-11,14-15,17H,4-5,12-13H2,(H,24,27)