2-[(8-azanylisoquinolin-5-yl)-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[(8-azanylisoquinolin-5-yl)-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[(8-amino-5-isoquinolyl)-(cyanomethyl)amino]acetonitrile CAS Name: 2-[(8-amino-5-isoquinolinyl)-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[(8-aminoisoquinolin-5-yl)-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[(8-amino-5-isoquinolyl)-(cyanomethyl)amino]acetonitrile Formula: C13H11N5 MolecularWeight: 237.25994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN=CC2=C1N)N(CC#N)CC#N

Isomeric SMILES

C1=CC(=C2C=CN=CC2=C1N)N(CC#N)CC#N

InChI

InChI=1S/C13H11N5/c14-4-7-18(8-5-15)13-2-1-12(16)11-9-17-6-3-10(11)13/h1-3,6,9H,7-8,16H2