3-cyano-N-(isoquinolin-1-ylmethyl)benzamide

Systemtic Name: 3-cyano-N-(isoquinolin-1-ylmethyl)benzamide Openeye Name: 3-cyano-N-(1-isoquinolylmethyl)benzamide CAS Name: 3-cyano-N-(1-isoquinolinylmethyl)benzamide IUPAC Name: 3-cyano-N-(isoquinolin-1-ylmethyl)benzamide Traditional Name: 3-cyano-N-(1-isoquinolylmethyl)benzamide Formula: C18H13N3O MolecularWeight: 287.31532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CNC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CNC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H13N3O/c19-11-13-4-3-6-15(10-13)18(22)21-12-17-16-7-2-1-5-14(16)8-9-20-17/h1-10H,12H2,(H,21,22)