3-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[1-[(4-fluorophenyl)methyl]-4-phenyl-3-pyrrolyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[1-[(4-fluorophenyl)methyl]-4-phenylpyrrol-3-yl]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[1-(4-fluorobenzyl)-4-phenyl-pyrrol-3-yl]-1H-pyrazole-5-carboxylic acid Formula: C21H16FN3O2 MolecularWeight: 361.369043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C=C2C3=NNC(=C3)C(=O)O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C=C2C3=NNC(=C3)C(=O)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O2/c22-16-8-6-14(7-9-16)11-25-12-17(15-4-2-1-3-5-15)18(13-25)19-10-20(21(26)27)24-23-19/h1-10,12-13H,11H2,(H,23,24)(H,26,27)