N-[(2R)-3-methyl-1-oxidanyl-butan-2-yl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-oxidanyl-butan-2-yl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1R)-1-(hydroxymethyl)-2-methyl-propyl]-1-(3-phenylpropyl)triazole-4-carboxamide CAS Name: N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(3-phenylpropyl)-4-triazolecarboxamide IUPAC Name: N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(3-phenylpropyl)triazole-4-carboxamide Traditional Name: N-[(1R)-2-methyl-1-methylol-propyl]-1-(3-phenylpropyl)triazole-4-carboxamide Formula: C17H24N4O2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(=O)C1=CN(N=N1)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](CO)NC(=O)C1=CN(N=N1)CCCC2=CC=CC=C2

InChI

InChI=1S/C17H24N4O2/c1-13(2)16(12-22)18-17(23)15-11-21(20-19-15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11,13,16,22H,6,9-10,12H2,1-2H3,(H,18,23)/t16-/m0/s1