3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxyisoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-5,6-dimethoxy-2-neopentyl-isocarbostyril Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-7-8-11-27-18-15(12-22)23(13-21(2,3)4)20(24)14-9-10-16(25-5)19(26-6)17(14)18/h9-10H,7-8,11-13,22H2,1-6H3