(4-pyrrolidin-1-ylcarbonylphenyl)methyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C23H21ClFN3O3 MolecularWeight: 441.882543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21ClFN3O3/c1-15-20(21(24)28(26-15)19-10-8-18(25)9-11-19)23(30)31-14-16-4-6-17(7-5-16)22(29)27-12-2-3-13-27/h4-11H,2-3,12-14H2,1H3