3-[(8-azanylisoquinolin-5-yl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(8-azanylisoquinolin-5-yl)-methyl-amino]propanenitrile Openeye Name: 3-[(8-amino-5-isoquinolyl)-methyl-amino]propanenitrile CAS Name: 3-[(8-amino-5-isoquinolinyl)-methylamino]propanenitrile IUPAC Name: 3-[(8-aminoisoquinolin-5-yl)-methylamino]propanenitrile Traditional Name: 3-[(8-amino-5-isoquinolyl)-methyl-amino]propionitrile Formula: C13H14N4 MolecularWeight: 226.27706

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C2C=CN=CC2=C(C=C1)N

Isomeric SMILES

CN(CCC#N)C1=C2C=CN=CC2=C(C=C1)N

InChI

InChI=1S/C13H14N4/c1-17(8-2-6-14)13-4-3-12(15)11-9-16-7-5-10(11)13/h3-5,7,9H,2,8,15H2,1H3