2-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-(2-benzoyl-1-cyano-1-isoquinolyl)-N,N-diethyl-acetamide CAS Name: 2-(2-benzoyl-1-cyano-1-isoquinolinyl)-N,N-diethylacetamide IUPAC Name: 2-(2-benzoyl-1-cyanoisoquinolin-1-yl)-N,N-diethylacetamide Traditional Name: 2-(2-benzoyl-1-cyano-1-isoquinolyl)-N,N-diethyl-acetamide Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCN(CC)C(=O)CC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H23N3O2/c1-3-25(4-2)21(27)16-23(17-24)20-13-9-8-10-18(20)14-15-26(23)22(28)19-11-6-5-7-12-19/h5-15H,3-4,16H2,1-2H3