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

Systemtic Name: N-(4-bromanylisoquinolin-3-yl)-2-(pyridin-4-ylmethylamino)benzamide Openeye Name: N-(4-bromo-3-isoquinolyl)-2-(4-pyridylmethylamino)benzamide CAS Name: N-(4-bromo-3-isoquinolinyl)-2-(pyridin-4-ylmethylamino)benzamide IUPAC Name: N-(4-bromoisoquinolin-3-yl)-2-(pyridin-4-ylmethylamino)benzamide Traditional Name: N-(4-bromo-3-isoquinolyl)-2-(4-pyridylmethylamino)benzamide Formula: C22H17BrN4O MolecularWeight: 433.30058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(=C2Br)NC(=O)C3=CC=CC=C3NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(=C2Br)NC(=O)C3=CC=CC=C3NCC4=CC=NC=C4

InChI

InChI=1S/C22H17BrN4O/c23-20-17-6-2-1-5-16(17)14-26-21(20)27-22(28)18-7-3-4-8-19(18)25-13-15-9-11-24-12-10-15/h1-12,14,25H,13H2,(H,26,27,28)