N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-keto-isochroman-3-carboxamide Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O3/c1-23(2,3)19-13-20(27(26-19)16-10-8-15(24)9-11-16)25-21(28)18-12-14-6-4-5-7-17(14)22(29)30-18/h4-11,13,18H,12H2,1-3H3,(H,25,28)