3-(1-azanyl-3-methyl-butyl)-4-butoxy-6,7-bis(chloranyl)-2-methyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(1-azanyl-3-methyl-butyl)-4-butoxy-6,7-bis(chloranyl)-2-methyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(1-amino-3-methyl-butyl)-4-butoxy-6,7-dichloro-2-methyl-isoquinolin-1-one hydrochloride CAS Name: 3-(1-amino-3-methylbutyl)-4-butoxy-6,7-dichloro-2-methyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(1-amino-3-methylbutyl)-4-butoxy-6,7-dichloro-2-methylisoquinolin-1-one hydrochloride Traditional Name: 3-(1-amino-3-methyl-butyl)-4-butoxy-6,7-dichloro-2-methyl-isocarbostyril hydrochloride Formula: C19H27Cl3N2O2 MolecularWeight: 421.78888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C)C(CC(C)C)N.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C)C(CC(C)C)N.Cl

InChI

InChI=1S/C19H26Cl2N2O2.ClH/c1-5-6-7-25-18-12-9-14(20)15(21)10-13(12)19(24)23(4)17(18)16(22)8-11(2)3;/h9-11,16H,5-8,22H2,1-4H3;1H