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

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]oxyethanamide hydrochloride Openeye Name: 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]oxy]acetamide hydrochloride CAS Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]oxy]acetamide hydrochloride IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]oxyacetamide hydrochloride Traditional Name: 2-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]oxy]acetamide hydrochloride Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)N)C3=CC=CC=C3)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)N)C3=CC=CC=C3)CN.Cl

InChI

InChI=1S/C22H25N3O3.ClH/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27;/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26);1H