N-[2-(1-azanylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-2-fluoranyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-2-fluoranyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-(1-amino-7-isoquinolyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-fluoro-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-(1-amino-7-isoquinolinyl)-5-(trifluoromethyl)-3-pyrazolyl]-2-fluoro-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-2-fluoro-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-(1-amino-7-isoquinolyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-fluoro-4-(pyrrolidine-1-carbonyl)benzamide Formula: C25H20F4N6O2 MolecularWeight: 512.458913

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)C(=O)NC3=CC(=NN3C4=CC5=C(C=C4)C=CN=C5N)C(F)(F)F)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)C(=O)NC3=CC(=NN3C4=CC5=C(C=C4)C=CN=C5N)C(F)(F)F)F

InChI

InChI=1S/C25H20F4N6O2/c26-19-11-15(24(37)34-9-1-2-10-34)4-6-17(19)23(36)32-21-13-20(25(27,28)29)33-35(21)16-5-3-14-7-8-31-22(30)18(14)12-16/h3-8,11-13H,1-2,9-10H2,(H2,30,31)(H,32,36)