6-bromanyl-3-ethanoyl-2-[[4-[(Z)-C-methyl-N-oxidanyl-carbonimidoyl]phenyl]methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-3-ethanoyl-2-[[4-[(Z)-C-methyl-N-oxidanyl-carbonimidoyl]phenyl]methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-acetyl-6-bromo-2-[[4-[(Z)-N-hydroxy-C-methyl-carbonimidoyl]phenyl]methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-acetyl-6-bromo-2-[[4-[(1Z)-1-hydroxyiminoethyl]phenyl]methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-acetyl-6-bromo-2-[[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]methyl]-4-phenylisoquinolin-1-one Traditional Name: 2-(4-acetohydroximoylbenzyl)-3-acetyl-6-bromo-4-phenyl-isocarbostyril Formula: C26H21BrN2O3 MolecularWeight: 489.36054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

C/C(=N/O)/C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C26H21BrN2O3/c1-16(28-32)19-10-8-18(9-11-19)15-29-25(17(2)30)24(20-6-4-3-5-7-20)23-14-21(27)12-13-22(23)26(29)31/h3-14,32H,15H2,1-2H3/b28-16-