[1-(4-fluorophenyl)-5-[(phenylmethyl)carbamoyl]-4-propan-2-yl-pyrazol-3-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [1-(4-fluorophenyl)-5-[(phenylmethyl)carbamoyl]-4-propan-2-yl-pyrazol-3-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-isopropyl-pyrazol-3-yl]methyl-triphenyl-phosphonium bromide CAS Name: [1-(4-fluorophenyl)-5-[oxo-[(phenylmethyl)amino]methyl]-4-propan-2-yl-3-pyrazolyl]methyl-triphenylphosphonium bromide IUPAC Name: [5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]methyl-triphenylphosphanium bromide Traditional Name: [5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-isopropyl-pyrazol-3-yl]methyl-triphenyl-phosphonium bromide Formula: C39H36BrFN3OP MolecularWeight: 692.598804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(N=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)NCC6=CC=CC=C6.[Br-]

Isomeric SMILES

CC(C)C1=C(N(N=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)NCC6=CC=CC=C6.[Br-]

InChI

InChI=1S/C39H35FN3OP.BrH/c1-29(2)37-36(28-45(33-17-9-4-10-18-33,34-19-11-5-12-20-34)35-21-13-6-14-22-35)42-43(32-25-23-31(40)24-26-32)38(37)39(44)41-27-30-15-7-3-8-16-30;/h3-26,29H,27-28H2,1-2H3;1H