[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-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 [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C22H20ClFN4O4 MolecularWeight: 458.870003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20ClFN4O4/c1-14-20(21(23)28(26-14)17-9-7-15(24)8-10-17)22(31)32-13-19(30)27(12-11-18(25)29)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H2,25,29)