ethyl 1-[3-[(3-fluoranyl-4-methoxy-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(3-fluoranyl-4-methoxy-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(3-fluoro-4-methoxy-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[(3-fluoro-4-methoxyphenyl)-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[(3-fluoro-4-methoxy-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O4/c1-4-29-21(27)17-12-23-25(13(17)2)16-7-5-6-15(11-16)24-20(26)14-8-9-19(28-3)18(22)10-14/h5-12H,4H2,1-3H3,(H,24,26)