3-(aminomethyl)-6-ethanoyl-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-6-ethanoyl-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 6-acetyl-3-(aminomethyl)-2-isobutyl-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 6-acetyl-3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 6-acetyl-3-(aminomethyl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 6-acetyl-3-(aminomethyl)-2-isobutyl-4-phenyl-isocarbostyril hydrochloride Formula: C22H25ClN2O2 MolecularWeight: 384.8991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2.ClH/c1-14(2)13-24-20(12-23)21(16-7-5-4-6-8-16)19-11-17(15(3)25)9-10-18(19)22(24)26;/h4-11,14H,12-13,23H2,1-3H3;1H