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

Systemtic Name: N-(3-isoquinolin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)benzamide Openeye Name: N-[3-(4-isoquinolyl)phenyl]-2-(4-pyridylmethylamino)benzamide CAS Name: N-[3-(4-isoquinolinyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide IUPAC Name: N-(3-isoquinolin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)benzamide Traditional Name: N-[3-(4-isoquinolyl)phenyl]-2-(4-pyridylmethylamino)benzamide Formula: C28H22N4O MolecularWeight: 430.50048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4NCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4NCC5=CC=NC=C5

InChI

InChI=1S/C28H22N4O/c33-28(25-10-3-4-11-27(25)31-17-20-12-14-29-15-13-20)32-23-8-5-7-21(16-23)26-19-30-18-22-6-1-2-9-24(22)26/h1-16,18-19,31H,17H2,(H,32,33)