ethyl 2-[[1-(4-chlorophenyl)-5-propyl-1,2,3-triazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[1-(4-chlorophenyl)-5-propyl-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[1-(4-chlorophenyl)-5-propyl-triazole-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(4-chlorophenyl)-5-propyl-4-triazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-chlorophenyl)-5-propyltriazole-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(4-chlorophenyl)-5-propyl-triazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)OCC

Isomeric SMILES

CCCC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)OCC

InChI

InChI=1S/C21H21ClN4O3/c1-3-7-18-19(24-25-26(18)15-12-10-14(22)11-13-15)20(27)23-17-9-6-5-8-16(17)21(28)29-4-2/h5-6,8-13H,3-4,7H2,1-2H3,(H,23,27)