2-(3-chloranyl-1,2,4-triazol-1-yl)-4-(hydroxymethyl)-N-(2-methoxy-5-methyl-phenyl)-4-methyl-5-oxidanyl-3-oxidanylidene-pentanamide

Systemtic Name: 2-(3-chloranyl-1,2,4-triazol-1-yl)-4-(hydroxymethyl)-N-(2-methoxy-5-methyl-phenyl)-4-methyl-5-oxidanyl-3-oxidanylidene-pentanamide Openeye Name: 2-(3-chloro-1,2,4-triazol-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methyl-phenyl)-4-methyl-3-oxo-pentanamide CAS Name: 2-(3-chloro-1,2,4-triazol-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide IUPAC Name: 2-(3-chloro-1,2,4-triazol-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide Traditional Name: 2-(3-chloro-1,2,4-triazol-1-yl)-5-hydroxy-3-keto-N-(2-methoxy-5-methyl-phenyl)-4-methyl-4-methylol-valeramide Formula: C17H21ClN4O5 MolecularWeight: 396.82544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(C)(CO)CO)N2C=NC(=N2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(C)(CO)CO)N2C=NC(=N2)Cl

InChI

InChI=1S/C17H21ClN4O5/c1-10-4-5-12(27-3)11(6-10)20-15(26)13(22-9-19-16(18)21-22)14(25)17(2,7-23)8-24/h4-6,9,13,23-24H,7-8H2,1-3H3,(H,20,26)