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

Systemtic Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]ethanamide hydrochloride Openeye Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]acetamide hydrochloride CAS Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]acetamide hydrochloride IUPAC Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]acetamide hydrochloride Traditional Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]acetamide hydrochloride Formula: C20H30ClN3O3 MolecularWeight: 395.9235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3.ClH/c1-5-6-9-26-19-17-10-15(22-14(4)24)7-8-16(17)20(25)23(12-13(2)3)18(19)11-21;/h7-8,10,13H,5-6,9,11-12,21H2,1-4H3,(H,22,24);1H