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

Systemtic Name: (3S)-N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide CAS Name: (3S)-1-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide Traditional Name: (3S)-N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]nipecotamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c28-21(25-20-6-2-1-3-7-20)19-5-4-12-26(14-19)22(29)18-10-8-17(9-11-18)13-27-16-23-15-24-27/h1-3,6-11,15-16,19H,4-5,12-14H2,(H,25,28)/t19-/m0/s1