methyl 2-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoylamino]benzoate

Systemtic Name: methyl 2-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoylamino]benzoate Openeye Name: methyl 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoylamino]benzoate CAS Name: 2-[[[3-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoylamino]benzoate Traditional Name: 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoylamino]benzoic acid methyl ester Formula: C17H18ClF3N4O3 MolecularWeight: 418.79803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)NC2=CC=CC=C2C(=O)OC)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)NC2=CC=CC=C2C(=O)OC)C(F)(F)F)Cl

InChI

InChI=1S/C17H18ClF3N4O3/c1-10-13(18)14(17(19,20)21)24-25(10)9-5-8-22-16(27)23-12-7-4-3-6-11(12)15(26)28-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,22,23,27)