2-(1-azanylisoquinolin-7-yl)-5-ethyl-N-[2-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)-5-ethyl-N-[2-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(1-amino-7-isoquinolyl)-5-ethyl-N-[2-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(1-amino-7-isoquinolinyl)-5-ethyl-N-[2-(2-methylsulfonylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)-5-ethyl-N-[2-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(1-amino-7-isoquinolyl)-5-ethyl-N-[2-(2-mesylphenyl)phenyl]pyrazole-3-carboxamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C28H25N5O3S/c1-3-19-16-25(33(32-19)20-13-12-18-14-15-30-27(29)23(18)17-20)28(34)31-24-10-6-4-8-21(24)22-9-5-7-11-26(22)37(2,35)36/h4-17H,3H2,1-2H3,(H2,29,30)(H,31,34)