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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methoxyethoxy)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methoxyethoxy)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methoxyethoxy)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methoxyethoxy)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-6-(2-methoxyethoxy)-2-neopentyl-isocarbostyril Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4/c1-6-7-10-28-20-18-13-16(27-12-11-26-5)8-9-17(18)21(25)24(19(20)14-23)15-22(2,3)4/h8-9,13H,6-7,10-12,14-15,23H2,1-5H3