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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-methoxy-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-methoxy-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-methoxy-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-methoxyisoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-7-methoxy-2-neopentyl-isocarbostyril Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-6-7-10-25-18-15-9-8-14(24-5)11-16(15)19(23)22(17(18)12-21)13-20(2,3)4/h8-9,11H,6-7,10,12-13,21H2,1-5H3