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

Systemtic Name: 1-[3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[4-(3-fluorobenzyl)piperazino]-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C18H21FN4O3 MolecularWeight: 360.382743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)CCN3C=C(C=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)CCN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C18H21FN4O3/c19-16-3-1-2-14(10-16)12-21-6-8-22(9-7-21)17(24)4-5-23-13-15(11-20-23)18(25)26/h1-3,10-11,13H,4-9,12H2,(H,25,26)