3-[3-(aminomethyl)-4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-isoquinolin-2-yl]-N-phenyl-propanamide

Systemtic Name: 3-[3-(aminomethyl)-4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-isoquinolin-2-yl]-N-phenyl-propanamide Openeye Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxo-2-isoquinolyl]-N-phenyl-propanamide CAS Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxo-2-isoquinolinyl]-N-phenylpropanamide IUPAC Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxoisoquinolin-2-yl]-N-phenylpropanamide Traditional Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-keto-2-isoquinolyl]-N-phenyl-propionamide Formula: C23H25Cl2N3O3 MolecularWeight: 462.3689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CCC(=O)NC3=CC=CC=C3)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CCC(=O)NC3=CC=CC=C3)CN

InChI

InChI=1S/C23H25Cl2N3O3/c1-2-3-11-31-22-16-12-18(24)19(25)13-17(16)23(30)28(20(22)14-26)10-9-21(29)27-15-7-5-4-6-8-15/h4-8,12-13H,2-3,9-11,14,26H2,1H3,(H,27,29)