[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methylphenyl)-4-pyrazolecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carboxylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NC3CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NC3CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3O3/c1-14-3-2-4-15(11-14)21-19(22(28)29-13-20(27)24-17-7-8-17)12-26(25-21)18-9-5-16(23)6-10-18/h2-6,9-12,17H,7-8,13H2,1H3,(H,24,27)