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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)N3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)N3CCCCCC3)C)C

InChI

InChI=1S/C20H26N4O3/c1-14-8-9-17(15(2)12-14)24-21-16(3)19(22-24)20(26)27-13-18(25)23-10-6-4-5-7-11-23/h8-9,12H,4-7,10-11,13H2,1-3H3