1-[(2R)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2R)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-[4-(3-fluorobenzyl)piperazino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C18H20FN4O3- MolecularWeight: 359.374803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC(=CC=C2)F)N3C=C(C=N3)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CC(=CC=C2)F)N3C=C(C=N3)C(=O)[O-]

InChI

InChI=1S/C18H21FN4O3/c1-13(23-12-15(10-20-23)18(25)26)17(24)22-7-5-21(6-8-22)11-14-3-2-4-16(19)9-14/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,25,26)/p-1/t13-/m1/s1