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

Systemtic Name: 2-[3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-6-yl]oxyethanamide Openeye Name: 2-[[3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-1-oxo-6-isoquinolyl]oxy]acetamide CAS Name: 2-[[3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-1-oxo-6-isoquinolinyl]oxy]acetamide IUPAC Name: 2-[3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-1-oxoisoquinolin-6-yl]oxyacetamide Traditional Name: 2-[[3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-1-keto-6-isoquinolyl]oxy]acetamide Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC(=O)N)CC3CC3)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC(=O)N)CC3CC3)CN

InChI

InChI=1S/C20H27N3O4/c1-2-3-8-26-19-16-9-14(27-12-18(22)24)6-7-15(16)20(25)23(17(19)10-21)11-13-4-5-13/h6-7,9,13H,2-5,8,10-12,21H2,1H3,(H2,22,24)