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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-14-17(20-22(19-14)15-9-5-4-6-10-15)18(24)25-13-16(23)21-11-7-2-3-8-12-21/h4-6,9-10H,2-3,7-8,11-13H2,1H3