ethyl 1-[4-[(3-acetamido-4-fluoranyl-phenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-acetamido-4-fluoranyl-phenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(3-acetamido-4-fluoro-phenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(3-acetamido-4-fluoroanilino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-acetamido-4-fluorophenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(3-acetamido-4-fluoro-phenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C

InChI

InChI=1S/C22H21FN4O4/c1-4-31-22(30)18-12-24-27(13(18)2)17-8-5-15(6-9-17)21(29)26-16-7-10-19(23)20(11-16)25-14(3)28/h5-12H,4H2,1-3H3,(H,25,28)(H,26,29)