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

Systemtic Name: ethyl 4-[[1-(4-chlorophenyl)-5-propyl-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-chlorophenyl)-5-propyl-triazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-chlorophenyl)-5-propyl-4-triazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-chlorophenyl)-5-propyltriazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[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=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H21ClN4O3/c1-3-5-18-19(24-25-26(18)17-12-8-15(22)9-13-17)20(27)23-16-10-6-14(7-11-16)21(28)29-4-2/h6-13H,3-5H2,1-2H3,(H,23,27)