3-[1-(isoquinolin-5-ylamino)ethyl]benzenecarbonitrile

Systemtic Name: 3-[1-(isoquinolin-5-ylamino)ethyl]benzenecarbonitrile Openeye Name: 3-[1-(5-isoquinolylamino)ethyl]benzonitrile CAS Name: 3-[1-(5-isoquinolinylamino)ethyl]benzonitrile IUPAC Name: 3-[1-(isoquinolin-5-ylamino)ethyl]benzonitrile Traditional Name: 3-[1-(5-isoquinolylamino)ethyl]benzonitrile Formula: C18H15N3 MolecularWeight: 273.3318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C#N)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C1=CC=CC(=C1)C#N)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H15N3/c1-13(15-5-2-4-14(10-15)11-19)21-18-7-3-6-16-12-20-9-8-17(16)18/h2-10,12-13,21H,1H3