2-[(2-cyanopyridin-3-yl)methylamino]-N-isoquinolin-3-yl-benzamide

Systemtic Name: 2-[(2-cyanopyridin-3-yl)methylamino]-N-isoquinolin-3-yl-benzamide Openeye Name: 2-[(2-cyano-3-pyridyl)methylamino]-N-(3-isoquinolyl)benzamide CAS Name: 2-[(2-cyano-3-pyridinyl)methylamino]-N-(3-isoquinolinyl)benzamide IUPAC Name: 2-[(2-cyanopyridin-3-yl)methylamino]-N-isoquinolin-3-ylbenzamide Traditional Name: 2-[(2-cyano-3-pyridyl)methylamino]-N-(3-isoquinolyl)benzamide Formula: C23H17N5O MolecularWeight: 379.41398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=CC=C3NCC4=C(N=CC=C4)C#N

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=CC=C3NCC4=C(N=CC=C4)C#N

InChI

InChI=1S/C23H17N5O/c24-13-21-18(8-5-11-25-21)15-26-20-10-4-3-9-19(20)23(29)28-22-12-16-6-1-2-7-17(16)14-27-22/h1-12,14,26H,15H2,(H,27,28,29)