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

Systemtic Name: N-(4-methoxyphenyl)-1-[2-(2-methylpropanoylamino)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-methoxyphenyl)-1-[2-(2-methylpropanoylamino)ethyl]triazole-4-carboxamide CAS Name: N-(4-methoxyphenyl)-1-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-4-triazolecarboxamide IUPAC Name: N-(4-methoxyphenyl)-1-[2-(2-methylpropanoylamino)ethyl]triazole-4-carboxamide Traditional Name: 1-[2-(isobutyrylamino)ethyl]-N-(4-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=C(C=C2)OC

Isomeric SMILES

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

InChI

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