3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H19FN4O3 MolecularWeight: 346.356163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O3/c1-20-11-14(17(24)25)15(19-20)16(23)22-7-5-21(6-8-22)10-12-3-2-4-13(18)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,24,25)