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

Systemtic Name: 6-bromanyl-4-phenyl-2-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one Openeye Name: 6-bromo-4-phenyl-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-propanoyl-isoquinolin-1-one CAS Name: 6-bromo-2-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-4-phenyl-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-propanoylisoquinolin-1-one Traditional Name: 6-bromo-4-phenyl-2-[4-(piperidine-1-carbonyl)benzyl]-3-propionyl-isocarbostyril Formula: C31H29BrN2O3 MolecularWeight: 557.47756

Click to see the large picture

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)N4CCCCC4)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)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H29BrN2O3/c1-2-27(35)29-28(22-9-5-3-6-10-22)26-19-24(32)15-16-25(26)31(37)34(29)20-21-11-13-23(14-12-21)30(36)33-17-7-4-8-18-33/h3,5-6,9-16,19H,2,4,7-8,17-18,20H2,1H3