4-(4-bromanyl-2-methoxy-phenyl)-4-methyl-2-oxidanylidene-N-quinolin-5-yl-pentanamide

Systemtic Name: 4-(4-bromanyl-2-methoxy-phenyl)-4-methyl-2-oxidanylidene-N-quinolin-5-yl-pentanamide Openeye Name: 4-(4-bromo-2-methoxy-phenyl)-4-methyl-2-oxo-N-(5-quinolyl)pentanamide CAS Name: 4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-(5-quinolinyl)pentanamide IUPAC Name: 4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide Traditional Name: 4-(4-bromo-2-methoxy-phenyl)-2-keto-4-methyl-N-(5-quinolyl)valeramide Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C(=O)NC1=CC=CC2=C1C=CC=N2)C3=C(C=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(CC(=O)C(=O)NC1=CC=CC2=C1C=CC=N2)C3=C(C=C(C=C3)Br)OC

InChI

InChI=1S/C22H21BrN2O3/c1-22(2,16-10-9-14(23)12-20(16)28-3)13-19(26)21(27)25-18-8-4-7-17-15(18)6-5-11-24-17/h4-12H,13H2,1-3H3,(H,25,27)