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

Systemtic Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]ethanamide hydrochloride Openeye Name: N-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]acetamide hydrochloride CAS Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]acetamide hydrochloride IUPAC Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]acetamide hydrochloride Traditional Name: N-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]acetamide hydrochloride Formula: C22H26ClN3O2 MolecularWeight: 399.91374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2.ClH/c1-14(2)13-25-20(12-23)21(16-7-5-4-6-8-16)19-11-17(24-15(3)26)9-10-18(19)22(25)27;/h4-11,14H,12-13,23H2,1-3H3,(H,24,26);1H