2-[4-(8-azanylisoquinolin-5-yl)oxyphenyl]ethanenitrile

Systemtic Name: 2-[4-(8-azanylisoquinolin-5-yl)oxyphenyl]ethanenitrile Openeye Name: 2-[4-[(8-amino-5-isoquinolyl)oxy]phenyl]acetonitrile CAS Name: 2-[4-[(8-amino-5-isoquinolinyl)oxy]phenyl]acetonitrile IUPAC Name: 2-[4-(8-aminoisoquinolin-5-yl)oxyphenyl]acetonitrile Traditional Name: 2-[4-[(8-amino-5-isoquinolyl)oxy]phenyl]acetonitrile Formula: C17H13N3O MolecularWeight: 275.30462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OC2=C3C=CN=CC3=C(C=C2)N

Isomeric SMILES

C1=CC(=CC=C1CC#N)OC2=C3C=CN=CC3=C(C=C2)N

InChI

InChI=1S/C17H13N3O/c18-9-7-12-1-3-13(4-2-12)21-17-6-5-16(19)15-11-20-10-8-14(15)17/h1-6,8,10-11H,7,19H2