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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-methoxy-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-methoxy-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-methoxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-methoxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-6-methoxy-2-neopentyl-isocarbostyril hydrochloride Formula: C20H31ClN2O3 MolecularWeight: 382.92474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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