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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxy-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxy-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-7-ethoxy-2-neopentyl-isocarbostyril hydrochloride Formula: C21H33ClN2O3 MolecularWeight: 396.95132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3.ClH/c1-6-8-11-26-19-16-10-9-15(25-7-2)12-17(16)20(24)23(18(19)13-22)14-21(3,4)5;/h9-10,12H,6-8,11,13-14,22H2,1-5H3;1H