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

Systemtic Name: 6-bromanyl-4-phenyl-2-[[4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl]methyl]-3-propanoyl-isoquinolin-1-one Openeye Name: 2-[[4-(4-benzoylpiperazine-1-carbonyl)phenyl]methyl]-6-bromo-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 2-[[4-[(4-benzoyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-6-bromo-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-[[4-(4-benzoylpiperazine-1-carbonyl)phenyl]methyl]-6-bromo-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 2-[4-(4-benzoylpiperazine-1-carbonyl)benzyl]-6-bromo-4-phenyl-3-propionyl-isocarbostyril Formula: C37H32BrN3O4 MolecularWeight: 662.57168

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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)C5=CC=CC=C5)C6=CC=CC=C6

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)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H32BrN3O4/c1-2-32(42)34-33(26-9-5-3-6-10-26)31-23-29(38)17-18-30(31)37(45)41(34)24-25-13-15-28(16-14-25)36(44)40-21-19-39(20-22-40)35(43)27-11-7-4-8-12-27/h3-18,23H,2,19-22,24H2,1H3