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

Systemtic Name: 3-(aminomethyl)-4-butoxy-6-cyclopentyloxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-6-(cyclopentoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-6-cyclopentyloxy-2-(2,2-dimethylpropyl)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-6-cyclopentyloxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-6-(cyclopentoxy)-2-neopentyl-isocarbostyril hydrochloride Formula: C24H37ClN2O3 MolecularWeight: 437.01518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC3CCCC3)CC(C)(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC3CCCC3)CC(C)(C)C)CN.Cl

InChI

InChI=1S/C24H36N2O3.ClH/c1-5-6-13-28-22-20-14-18(29-17-9-7-8-10-17)11-12-19(20)23(27)26(21(22)15-25)16-24(2,3)4;/h11-12,14,17H,5-10,13,15-16,25H2,1-4H3;1H