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

Systemtic Name: 6-bromanyl-2-[[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-6-bromo-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 2-[[4-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-6-bromo-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-6-bromo-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 2-[4-(4-acetylpiperazine-1-carbonyl)benzyl]-6-bromo-4-phenyl-3-propionyl-isocarbostyril Formula: C32H30BrN3O4 MolecularWeight: 600.5023

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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)N4CCN(CC4)C(=O)C)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C32H30BrN3O4/c1-3-28(38)30-29(23-7-5-4-6-8-23)27-19-25(33)13-14-26(27)32(40)36(30)20-22-9-11-24(12-10-22)31(39)35-17-15-34(16-18-35)21(2)37/h4-14,19H,3,15-18,20H2,1-2H3