N-(3-methoxyphenyl)-1-[2-(2-methylpropanoylamino)ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-1-[2-(2-methylpropanoylamino)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-methoxyphenyl)-1-[2-(2-methylpropanoylamino)ethyl]triazole-4-carboxamide CAS Name: N-(3-methoxyphenyl)-1-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-4-triazolecarboxamide IUPAC Name: N-(3-methoxyphenyl)-1-[2-(2-methylpropanoylamino)ethyl]triazole-4-carboxamide Traditional Name: 1-[2-(isobutyrylamino)ethyl]-N-(3-methoxyphenyl)triazole-4-carboxamide Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCN1C=C(N=N1)C(=O)NC2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)C(=O)NCCN1C=C(N=N1)C(=O)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H21N5O3/c1-11(2)15(22)17-7-8-21-10-14(19-20-21)16(23)18-12-5-4-6-13(9-12)24-3/h4-6,9-11H,7-8H2,1-3H3,(H,17,22)(H,18,23)