2-[4-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]ethanenitrile

Systemtic Name: 2-[4-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]ethanenitrile Openeye Name: 2-[4-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]-3-isoquinolyl]oxy]phenyl]acetonitrile CAS Name: 2-[4-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]-3-isoquinolinyl]oxy]phenyl]acetonitrile IUPAC Name: 2-[4-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetonitrile Traditional Name: 2-[4-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]-3-isoquinolyl]oxy]phenyl]acetonitrile Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=CC3=CC=CC=C32)OC4=CC=C(C=C4)CC#N

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=CC3=CC=CC=C32)OC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C21H17N5O/c1-14-12-19(26-25-14)23-21-18-5-3-2-4-16(18)13-20(24-21)27-17-8-6-15(7-9-17)10-11-22/h2-9,12-13H,10H2,1H3,(H2,23,24,25,26)