N-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]-2-fluoranyl-6-(2-methylsulfonylphenyl)benzamide

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]-2-fluoranyl-6-(2-methylsulfonylphenyl)benzamide Openeye Name: N-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-2-fluoro-6-(2-methylsulfonylphenyl)benzamide CAS Name: N-[2-(1-amino-7-isoquinolinyl)-5-methyl-3-pyrazolyl]-2-fluoro-6-(2-methylsulfonylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-fluoro-6-(2-methylsulfonylphenyl)benzamide Traditional Name: N-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-2-fluoro-6-(2-mesylphenyl)benzamide Formula: C27H22FN5O3S MolecularWeight: 515.558683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C27H22FN5O3S/c1-16-14-24(33(32-16)18-11-10-17-12-13-30-26(29)21(17)15-18)31-27(34)25-20(7-5-8-22(25)28)19-6-3-4-9-23(19)37(2,35)36/h3-15H,1-2H3,(H2,29,30)(H,31,34)