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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

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