4-[3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoic acid

Systemtic Name: 4-[3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoic acid Openeye Name: 4-[3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoic acid CAS Name: 4-[[3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoylamino]benzoic acid Traditional Name: 4-[[3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]benzoic acid Formula: C25H18FN3O3 MolecularWeight: 427.427123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H18FN3O3/c26-20-11-6-17(7-12-20)24-19(16-29(28-24)22-4-2-1-3-5-22)10-15-23(30)27-21-13-8-18(9-14-21)25(31)32/h1-16H,(H,27,30)(H,31,32)