ethyl 1-(3-fluorophenyl)-5-[3-(quinolin-2-ylcarbonylamino)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(3-fluorophenyl)-5-[3-(quinolin-2-ylcarbonylamino)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(3-fluorophenyl)-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate CAS Name: 1-(3-fluorophenyl)-5-[3-[[oxo(2-quinolinyl)methyl]amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-fluorophenyl)-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate Traditional Name: 1-(3-fluorophenyl)-5-[3-(quinaldoylamino)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C28H21FN4O3 MolecularWeight: 480.489743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC(=CC=C5)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H21FN4O3/c1-2-36-28(35)25-17-26(33(32-25)22-11-6-9-20(29)16-22)19-8-5-10-21(15-19)30-27(34)24-14-13-18-7-3-4-12-23(18)31-24/h3-17H,2H2,1H3,(H,30,34)