N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl]ethanamide hydrochloride

Systemtic Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl]ethanamide hydrochloride Openeye Name: N-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methyl]acetamide hydrochloride CAS Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]methyl]acetamide hydrochloride IUPAC Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]methyl]acetamide hydrochloride Traditional Name: N-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methyl]acetamide hydrochloride Formula: C23H28ClN3O2 MolecularWeight: 413.94032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2.ClH/c1-15(2)14-26-21(12-24)22(18-7-5-4-6-8-18)20-11-17(13-25-16(3)27)9-10-19(20)23(26)28;/h4-11,15H,12-14,24H2,1-3H3,(H,25,27);1H