N-isoquinolin-3-yl-2-(pyridin-4-ylmethylamino)benzamide

Systemtic Name: N-isoquinolin-3-yl-2-(pyridin-4-ylmethylamino)benzamide Openeye Name: N-(3-isoquinolyl)-2-(4-pyridylmethylamino)benzamide CAS Name: N-(3-isoquinolinyl)-2-(pyridin-4-ylmethylamino)benzamide IUPAC Name: N-isoquinolin-3-yl-2-(pyridin-4-ylmethylamino)benzamide Traditional Name: N-(3-isoquinolyl)-2-(4-pyridylmethylamino)benzamide Formula: C22H18N4O MolecularWeight: 354.40452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O/c27-22(26-21-13-17-5-1-2-6-18(17)15-25-21)19-7-3-4-8-20(19)24-14-16-9-11-23-12-10-16/h1-13,15,24H,14H2,(H,25,26,27)