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

Systemtic Name: 3-(aminomethyl)-4-(2-fluorophenyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-6-benzyloxy-4-(2-fluorophenyl)-2-isobutyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-(2-fluorophenyl)-2-(2-methylpropyl)-6-phenylmethoxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-(2-fluorophenyl)-2-(2-methylpropyl)-6-phenylmethoxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-6-benzoxy-4-(2-fluorophenyl)-2-isobutyl-isocarbostyril hydrochloride Formula: C27H28ClFN2O2 MolecularWeight: 466.974823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4F)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4F)CN.Cl

InChI

InChI=1S/C27H27FN2O2.ClH/c1-18(2)16-30-25(15-29)26(22-10-6-7-11-24(22)28)23-14-20(12-13-21(23)27(30)31)32-17-19-8-4-3-5-9-19;/h3-14,18H,15-17,29H2,1-2H3;1H