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

Systemtic Name: 3-[3-(aminomethyl)-4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-isoquinolin-2-yl]-N-propan-2-yl-propanamide Openeye Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxo-2-isoquinolyl]-N-isopropyl-propanamide CAS Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxo-2-isoquinolinyl]-N-propan-2-ylpropanamide IUPAC Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxoisoquinolin-2-yl]-N-propan-2-ylpropanamide Traditional Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-keto-2-isoquinolyl]-N-isopropyl-propionamide Formula: C20H27Cl2N3O3 MolecularWeight: 428.35268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27Cl2N3O3/c1-4-5-8-28-19-13-9-15(21)16(22)10-14(13)20(27)25(17(19)11-23)7-6-18(26)24-12(2)3/h9-10,12H,4-8,11,23H2,1-3H3,(H,24,26)