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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-5-methyl-4-triazolecarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H23ClN4O3 MolecularWeight: 390.86392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)N2CCCCCCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)N2CCCCCCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4O3/c1-14-18(22-24(21-14)16-9-7-8-15(20)12-16)19(26)27-13-17(25)23-10-5-3-2-4-6-11-23/h7-9,12H,2-6,10-11,13H2,1H3