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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(azepan-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-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)N2CCCCCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)N2CCCCCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O3/c1-13-17(21-23(20-13)15-8-6-7-14(19)11-15)18(25)26-12-16(24)22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10,12H2,1H3