3-[(isoquinolin-5-ylamino)methyl]benzenecarbonitrile

Systemtic Name: 3-[(isoquinolin-5-ylamino)methyl]benzenecarbonitrile Openeye Name: 3-[(5-isoquinolylamino)methyl]benzonitrile CAS Name: 3-[(5-isoquinolinylamino)methyl]benzonitrile IUPAC Name: 3-[(isoquinolin-5-ylamino)methyl]benzonitrile Traditional Name: 3-[(5-isoquinolylamino)methyl]benzonitrile Formula: C17H13N3 MolecularWeight: 259.30522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CC=CC3=C2C=CN=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CC=CC3=C2C=CN=C3)C#N

InChI

InChI=1S/C17H13N3/c18-10-13-3-1-4-14(9-13)11-20-17-6-2-5-15-12-19-8-7-16(15)17/h1-9,12,20H,11H2