[2-oxidanylidene-2-(pentylamino)ethyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-5-methyl-4-triazolecarboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=NN(N=C1C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=NN(N=C1C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H21ClN4O3/c1-3-4-5-9-19-15(23)11-25-17(24)16-12(2)20-22(21-16)14-8-6-7-13(18)10-14/h6-8,10H,3-5,9,11H2,1-2H3,(H,19,23)