6-bromanyl-2-[(4-ethanoylphenyl)methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-[(4-ethanoylphenyl)methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 2-[(4-acetylphenyl)methyl]-6-bromo-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 2-[(4-acetylphenyl)methyl]-6-bromo-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-[(4-acetylphenyl)methyl]-6-bromo-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 2-(4-acetylbenzyl)-6-bromo-4-phenyl-3-propionyl-isocarbostyril Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H22BrNO3/c1-3-24(31)26-25(20-7-5-4-6-8-20)23-15-21(28)13-14-22(23)27(32)29(26)16-18-9-11-19(12-10-18)17(2)30/h4-15H,3,16H2,1-2H3