1-(3-chloranyl-5-fluoranyl-phenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-5-fluoranyl-phenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-5-fluoro-phenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-5-fluorophenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-5-fluorophenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-5-fluoro-phenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C21H25ClFN3O3 MolecularWeight: 421.892903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC(=CC(=C3)Cl)F)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC(=CC(=C3)Cl)F)C(C)C

InChI

InChI=1S/C21H25ClFN3O3/c1-12(2)26(20(27)14-6-4-13(3)5-7-14)19-18(21(28)29)11-25(24-19)17-9-15(22)8-16(23)10-17/h8-14H,4-7H2,1-3H3,(H,28,29)