2-[[4-(aminomethyl)phenyl]methyl]-6-bromanyl-3-ethanoyl-4-phenyl-isoquinolin-1-one hydrochloride

Systemtic Name: 2-[[4-(aminomethyl)phenyl]methyl]-6-bromanyl-3-ethanoyl-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 3-acetyl-2-[[4-(aminomethyl)phenyl]methyl]-6-bromo-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 3-acetyl-2-[[4-(aminomethyl)phenyl]methyl]-6-bromo-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 3-acetyl-2-[[4-(aminomethyl)phenyl]methyl]-6-bromo-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 3-acetyl-2-[4-(aminomethyl)benzyl]-6-bromo-4-phenyl-isocarbostyril hydrochloride Formula: C25H22BrClN2O2 MolecularWeight: 497.81138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4.Cl

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H21BrN2O2.ClH/c1-16(29)24-23(19-5-3-2-4-6-19)22-13-20(26)11-12-21(22)25(30)28(24)15-18-9-7-17(14-27)8-10-18;/h2-13H,14-15,27H2,1H3;1H