3-[5-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-1-yl]benzenecarbonitrile Openeye Name: 3-[5-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]-1-isoquinolyl]benzonitrile CAS Name: 3-[5-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]-1-isoquinolinyl]benzonitrile IUPAC Name: 3-[5-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-1-yl]benzonitrile Traditional Name: 3-[5-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]-1-isoquinolyl]benzonitrile Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=C3C=CC=C(C3=C2)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=C3C=CC=C(C3=C2)OC)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H17N5O/c1-13-9-20(26-25-13)23-19-11-17-16(7-4-8-18(17)27-2)21(24-19)15-6-3-5-14(10-15)12-22/h3-11H,1-2H3,(H2,23,24,25,26)