N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]isoindol-1-ylidene]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]isoindol-1-ylidene]-4-fluoranyl-benzamide Openeye Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]isoindol-1-ylidene]-4-fluoro-benzamide CAS Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-isoindolylidene]-4-fluorobenzamide IUPAC Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]isoindol-1-ylidene]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]isoindol-1-ylidene]benzamide Formula: C26H20FN5O2 MolecularWeight: 453.467703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C53

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C53

InChI

InChI=1S/C26H20FN5O2/c1-16-22(26(34)32(31(16)2)19-8-4-3-5-9-19)28-23-20-10-6-7-11-21(20)24(29-23)30-25(33)17-12-14-18(27)15-13-17/h3-15H,1-2H3,(H,28,29,30,33)