1-[3-fluoranyl-4-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[oxo-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazino]-3-fluoro-phenyl]ethanone Formula: C28H26FN5O2 MolecularWeight: 483.536743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)F

InChI

InChI=1S/C28H26FN5O2/c1-20(35)22-9-10-26(25(29)16-22)32-12-14-33(15-13-32)28(36)24-19-34(18-21-6-3-2-4-7-21)31-27(24)23-8-5-11-30-17-23/h2-11,16-17,19H,12-15,18H2,1H3