3-(aminomethyl)-7-(2-methoxyethoxy)-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-7-(2-methoxyethoxy)-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-2-isobutyl-7-(2-methoxyethoxy)-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-7-(2-methoxyethoxy)-2-(2-methylpropyl)-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-7-(2-methoxyethoxy)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-2-isobutyl-7-(2-methoxyethoxy)-4-phenyl-isocarbostyril hydrochloride Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=C2)OCCOC)C3=CC=CC=C3)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=C2)OCCOC)C3=CC=CC=C3)CN.Cl

InChI

InChI=1S/C23H28N2O3.ClH/c1-16(2)15-25-21(14-24)22(17-7-5-4-6-8-17)19-10-9-18(28-12-11-27-3)13-20(19)23(25)26;/h4-10,13,16H,11-12,14-15,24H2,1-3H3;1H