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

Systemtic Name: N-[3-cyano-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-2-oxidanyl-ethanamide Openeye Name: N-(3-cyano-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl)-2-hydroxy-acetamide CAS Name: N-[3-cyano-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-2-hydroxyacetamide IUPAC Name: N-[3-cyano-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-2-hydroxyacetamide Traditional Name: N-(3-cyano-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl)-2-hydroxy-acetamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NC(=O)CO)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NC(=O)CO)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H21N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(24-20(27)13-26)8-9-17(18)22(25)28/h3-10,14,26H,12-13H2,1-2H3,(H,24,27)