2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-3-piperidin-1-ylcarbonyl-isoquinolin-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-3-piperidin-1-ylcarbonyl-isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(piperidine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-[oxo(1-piperidinyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(piperidine-1-carbonyl)isoquinolin-1-one Traditional Name: 6-bromo-4-phenyl-3-(piperidine-1-carbonyl)-2-piperonyl-isocarbostyril Formula: C29H25BrN2O4 MolecularWeight: 545.4238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C3=C(C=CC(=C3)Br)C(=O)N2CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C3=C(C=CC(=C3)Br)C(=O)N2CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C29H25BrN2O4/c30-21-10-11-22-23(16-21)26(20-7-3-1-4-8-20)27(29(34)31-13-5-2-6-14-31)32(28(22)33)17-19-9-12-24-25(15-19)36-18-35-24/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2