ethyl 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[4-(2-chloro-6-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=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

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