2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-7-yl]oxyethanamide

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-7-yl]oxyethanamide Openeye Name: 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-7-isoquinolyl]oxy]acetamide CAS Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-7-isoquinolinyl]oxy]acetamide IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-7-yl]oxyacetamide Traditional Name: 2-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-7-isoquinolyl]oxy]acetamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)17-9-8-16(28-13-20(24)26)10-18(17)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)