5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H18ClFN4O3 MolecularWeight: 380.801223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H18ClFN4O3/c1-21-15(11(9-20-21)17(25)26)16(24)23-7-5-22(6-8-23)10-12-13(18)3-2-4-14(12)19/h2-4,9H,5-8,10H2,1H3,(H,25,26)