3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(3-oxidanylidenebutan-2-yloxy)isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(3-oxidanylidenebutan-2-yloxy)isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(1-methyl-2-oxo-propoxy)isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(3-oxobutan-2-yloxy)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(3-oxobutan-2-yloxy)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-6-(2-keto-1-methyl-propoxy)-2-neopentyl-isocarbostyril hydrochloride Formula: C23H35ClN2O4 MolecularWeight: 438.988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC(C)C(=O)C)CC(C)(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC(C)C(=O)C)CC(C)(C)C)CN.Cl

InChI

InChI=1S/C23H34N2O4.ClH/c1-7-8-11-28-21-19-12-17(29-16(3)15(2)26)9-10-18(19)22(27)25(20(21)13-24)14-23(4,5)6;/h9-10,12,16H,7-8,11,13-14,24H2,1-6H3;1H