2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxidanylidene-isoquinolin-5-yl]-3-methyl-butanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxidanylidene-isoquinolin-5-yl]-3-methyl-butanamide Openeye Name: 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxo-5-isoquinolyl]-3-methyl-butanamide CAS Name: 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxo-5-isoquinolinyl]-3-methylbutanamide IUPAC Name: 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-3-methylbutanamide Traditional Name: 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-keto-5-isoquinolyl]-3-methyl-butyramide Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CCO

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CCO

InChI

InChI=1S/C22H23ClN2O3/c1-14(2)20(15-6-8-16(23)9-7-15)21(27)24-19-5-3-4-18-17(19)10-11-25(12-13-26)22(18)28/h3-11,14,20,26H,12-13H2,1-2H3,(H,24,27)