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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxy-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxy-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-propoxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-2-neopentyl-7-propoxy-isocarbostyril hydrochloride Formula: C22H35ClN2O3 MolecularWeight: 410.9779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3.ClH/c1-6-8-12-27-20-17-10-9-16(26-11-7-2)13-18(17)21(25)24(19(20)14-23)15-22(3,4)5;/h9-10,13H,6-8,11-12,14-15,23H2,1-5H3;1H