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

Systemtic Name: 3-(aminomethyl)-4,6-dibutoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4,6-dibutoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4,6-dibutoxy-2-(2,2-dimethylpropyl)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4,6-dibutoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4,6-dibutoxy-2-neopentyl-isocarbostyril hydrochloride Formula: C23H37ClN2O3 MolecularWeight: 425.00448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)N(C(=C2OCCCC)CN)CC(C)(C)C.Cl

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)N(C(=C2OCCCC)CN)CC(C)(C)C.Cl

InChI

InChI=1S/C23H36N2O3.ClH/c1-6-8-12-27-17-10-11-18-19(14-17)21(28-13-9-7-2)20(15-24)25(22(18)26)16-23(3,4)5;/h10-11,14H,6-9,12-13,15-16,24H2,1-5H3;1H