N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-keto-isochroman-3-carboxamide Formula: C26H20FN3O3 MolecularWeight: 441.453703

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C26H20FN3O3/c27-20-12-10-17(11-13-20)24-19(16-30(29-24)21-7-2-1-3-8-21)15-28-25(31)23-14-18-6-4-5-9-22(18)26(32)33-23/h1-13,16,23H,14-15H2,(H,28,31)