[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H25ClFN3O3 MolecularWeight: 421.892903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

InChI

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