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

Systemtic Name: 3-(aminomethyl)-4-butoxy-6-(cyclohexylmethoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-6-(cyclohexylmethoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-6-(cyclohexylmethoxy)-2-(2,2-dimethylpropyl)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-6-(cyclohexylmethoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-6-(cyclohexylmethoxy)-2-neopentyl-isocarbostyril hydrochloride Formula: C26H41ClN2O3 MolecularWeight: 465.06834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3CCCCC3)CC(C)(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3CCCCC3)CC(C)(C)C)CN.Cl

InChI

InChI=1S/C26H40N2O3.ClH/c1-5-6-14-30-24-22-15-20(31-17-19-10-8-7-9-11-19)12-13-21(22)25(29)28(23(24)16-27)18-26(2,3)4;/h12-13,15,19H,5-11,14,16-18,27H2,1-4H3;1H