3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-6-oxidanyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-6-oxidanyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-(4-fluorophenyl)-6-hydroxy-2-isobutyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-(4-fluorophenyl)-6-hydroxy-2-(2-methylpropyl)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-(4-fluorophenyl)-6-hydroxy-2-(2-methylpropyl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-(4-fluorophenyl)-6-hydroxy-2-isobutyl-isocarbostyril hydrochloride Formula: C20H22ClFN2O2 MolecularWeight: 376.852283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O2.ClH/c1-12(2)11-23-18(10-22)19(13-3-5-14(21)6-4-13)17-9-15(24)7-8-16(17)20(23)25;/h3-9,12,24H,10-11,22H2,1-2H3;1H