(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C30H19FN2O4 MolecularWeight: 490.481263

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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(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C30H19FN2O4/c31-22-13-10-20(11-14-22)29-25(17-33(32-29)23-7-2-1-3-8-23)30(35)36-18-21-16-27(34)37-26-15-12-19-6-4-5-9-24(19)28(21)26/h1-17H,18H2