ethyl 5-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbonyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbonyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H22ClFN4O3 MolecularWeight: 408.854383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H22ClFN4O3/c1-3-28-19(27)17-11-16(22-23(17)2)18(26)25-8-6-24(7-9-25)12-13-4-5-14(21)10-15(13)20/h4-5,10-11H,3,6-9,12H2,1-2H3