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

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]ethanamide Openeye Name: 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]acetamide CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]acetamide IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]acetamide Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]acetamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CC(=O)N)C3=CC=CC=C3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CC(=O)N)C3=CC=CC=C3)CN

InChI

InChI=1S/C22H25N3O2/c1-14(2)13-25-19(12-23)21(16-6-4-3-5-7-16)18-10-15(11-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)