N-(2-methylpropyl)-1-[(3S)-1-(2-phenoxyethanoyl)piperidin-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[(3S)-1-(2-phenoxyethanoyl)piperidin-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[(3S)-1-(2-phenoxyacetyl)-3-piperidyl]triazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[(3S)-1-(1-oxo-2-phenoxyethyl)-3-piperidinyl]-4-triazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-[(3S)-1-(2-phenoxyacetyl)piperidin-3-yl]triazole-4-carboxamide Traditional Name: N-isobutyl-1-[(3S)-1-(2-phenoxyacetyl)-3-piperidyl]triazole-4-carboxamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CCCN(C2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)[C@H]2CCCN(C2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O3/c1-15(2)11-21-20(27)18-13-25(23-22-18)16-7-6-10-24(12-16)19(26)14-28-17-8-4-3-5-9-17/h3-5,8-9,13,15-16H,6-7,10-12,14H2,1-2H3,(H,21,27)/t16-/m0/s1