N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-5-yl]ethanamide hydrochloride

Systemtic Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-5-yl]ethanamide hydrochloride Openeye Name: N-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-5-isoquinolyl]acetamide hydrochloride CAS Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-5-isoquinolinyl]acetamide hydrochloride IUPAC Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-5-yl]acetamide hydrochloride Traditional Name: N-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-5-isoquinolyl]acetamide hydrochloride Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC=C2NC(=O)C)C3=CC=CC=C3)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC=C2NC(=O)C)C3=CC=CC=C3)CN.Cl

InChI

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