2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]oxyethanamide hydrochloride

Systemtic Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]oxyethanamide hydrochloride Openeye Name: 2-[[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]oxy]acetamide hydrochloride CAS Name: 2-[[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]oxy]acetamide hydrochloride IUPAC Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]oxyacetamide hydrochloride Traditional Name: 2-[[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]oxy]acetamide hydrochloride Formula: C20H30ClN3O4 MolecularWeight: 411.9229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4.ClH/c1-4-5-8-26-19-16-9-14(27-12-18(22)24)6-7-15(16)20(25)23(11-13(2)3)17(19)10-21;/h6-7,9,13H,4-5,8,10-12,21H2,1-3H3,(H2,22,24);1H