3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-6,7-dimethoxy-2-neopentyl-isocarbostyril hydrochloride Formula: C21H33ClN2O4 MolecularWeight: 412.95072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4.ClH/c1-7-8-9-27-19-14-10-17(25-5)18(26-6)11-15(14)20(24)23(16(19)12-22)13-21(2,3)4;/h10-11H,7-9,12-13,22H2,1-6H3;1H