[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-aminocarbonyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-aminocarbonyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 5-carbamoyl-1-(4-fluorophenyl)-2-pyrazoline-3-carboxylic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H27FN4O4 MolecularWeight: 454.493983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NN(C(C2)C(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NN(C(C2)C(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H27FN4O4/c1-14(22(31)27-17-9-5-15(6-10-17)24(2,3)4)33-23(32)19-13-20(21(26)30)29(28-19)18-11-7-16(25)8-12-18/h5-12,14,20H,13H2,1-4H3,(H2,26,30)(H,27,31)