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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-propan-2-yloxy-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-isopropoxy-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-propan-2-yloxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-propan-2-yloxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-6-isopropoxy-2-neopentyl-isocarbostyril hydrochloride Formula: C22H35ClN2O3 MolecularWeight: 410.9779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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