2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]ethanamide hydrochloride

Systemtic Name: 2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]ethanamide hydrochloride Openeye Name: 2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolyl]acetamide hydrochloride CAS Name: 2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolinyl]acetamide hydrochloride IUPAC Name: 2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-6-yl]acetamide hydrochloride Traditional Name: 2-[3-(aminomethyl)-4-butoxy-1-keto-2-neopentyl-6-isoquinolyl]acetamide hydrochloride Formula: C21H32ClN3O3 MolecularWeight: 409.95008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3.ClH/c1-5-6-9-27-19-16-10-14(11-18(23)25)7-8-15(16)20(26)24(17(19)12-22)13-21(2,3)4;/h7-8,10H,5-6,9,11-13,22H2,1-4H3,(H2,23,25);1H