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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]nipecotamide Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)CN4C=NC=N4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)CN4C=NC=N4

InChI

InChI=1S/C22H22ClN5O2/c23-19-8-6-17(7-9-19)22(30)27-10-2-4-18(13-27)21(29)26-20-5-1-3-16(11-20)12-28-15-24-14-25-28/h1,3,5-9,11,14-15,18H,2,4,10,12-13H2,(H,26,29)