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

Systemtic Name: 6-bromanyl-4-phenyl-2-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-3-propanoyl-isoquinolin-1-one Openeye Name: 2-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-bromo-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-bromo-2-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-bromo-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 2-[4-(4-benzylpiperazine-1-carbonyl)benzyl]-6-bromo-4-phenyl-3-propionyl-isocarbostyril Formula: C37H34BrN3O3 MolecularWeight: 648.58816

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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)CC5=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)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H34BrN3O3/c1-2-33(42)35-34(28-11-7-4-8-12-28)32-23-30(38)17-18-31(32)37(44)41(35)25-27-13-15-29(16-14-27)36(43)40-21-19-39(20-22-40)24-26-9-5-3-6-10-26/h3-18,23H,2,19-22,24-25H2,1H3