2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methyl]-5-fluoranyl-isoindole-1,3-dione

Systemtic Name: 2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methyl]-5-fluoranyl-isoindole-1,3-dione Openeye Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methyl]-5-fluoro-isoindoline-1,3-dione CAS Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methyl]-5-fluoroisoindole-1,3-dione IUPAC Name: 2-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methyl]-5-fluoroisoindole-1,3-dione Traditional Name: 5-fluoro-2-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methyl]isoindoline-1,3-quinone Formula: C20H17FN4O3 MolecularWeight: 380.372383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C20H17FN4O3/c1-12-17(20(28)25(23(12)2)14-6-4-3-5-7-14)22-11-24-18(26)15-9-8-13(21)10-16(15)19(24)27/h3-10,22H,11H2,1-2H3