2-[(2-cyanopyridin-4-yl)methylamino]-N-isoquinolin-3-yl-benzamide

Systemtic Name: 2-[(2-cyanopyridin-4-yl)methylamino]-N-isoquinolin-3-yl-benzamide Openeye Name: 2-[(2-cyano-4-pyridyl)methylamino]-N-(3-isoquinolyl)benzamide CAS Name: 2-[(2-cyano-4-pyridinyl)methylamino]-N-(3-isoquinolinyl)benzamide IUPAC Name: 2-[(2-cyanopyridin-4-yl)methylamino]-N-isoquinolin-3-ylbenzamide Traditional Name: 2-[(2-cyano-4-pyridyl)methylamino]-N-(3-isoquinolyl)benzamide Formula: C23H17N5O MolecularWeight: 379.41398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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