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

Systemtic Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl]-2-methyl-propanamide hydrochloride Openeye Name: N-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methyl]-2-methyl-propanamide hydrochloride CAS Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]methyl]-2-methylpropanamide hydrochloride IUPAC Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]methyl]-2-methylpropanamide hydrochloride Traditional Name: N-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methyl]-2-methyl-propionamide hydrochloride Formula: C25H32ClN3O2 MolecularWeight: 441.99348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2.ClH/c1-16(2)15-28-22(13-26)23(19-8-6-5-7-9-19)21-12-18(10-11-20(21)25(28)30)14-27-24(29)17(3)4;/h5-12,16-17H,13-15,26H2,1-4H3,(H,27,29);1H