3-(aminomethyl)-4-butoxy-6-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-6-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-6-(3,3-dimethyl-2-oxo-butoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-6-(3,3-dimethyl-2-oxobutoxy)-2-(2,2-dimethylpropyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-6-(3,3-dimethyl-2-oxobutoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-6-(2-keto-3,3-dimethyl-butoxy)-2-neopentyl-isocarbostyril Formula: C25H38N2O4 MolecularWeight: 430.58022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O4/c1-8-9-12-30-22-19-13-17(31-15-21(28)25(5,6)7)10-11-18(19)23(29)27(20(22)14-26)16-24(2,3)4/h10-11,13H,8-9,12,14-16,26H2,1-7H3