3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxy-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxy-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxy-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxy-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxyisoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-neopentyl-7-propoxy-isocarbostyril Formula: C22H34N2O3 MolecularWeight: 374.51696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3/c1-6-8-12-27-20-17-10-9-16(26-11-7-2)13-18(17)21(25)24(19(20)14-23)15-22(3,4)5/h9-10,13H,6-8,11-12,14-15,23H2,1-5H3