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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-3-piperazin-1-ylcarbonyl-isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(piperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-[oxo(1-piperazinyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(piperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 6-bromo-4-phenyl-3-(piperazine-1-carbonyl)-2-piperonyl-isocarbostyril Formula: C28H24BrN3O4 MolecularWeight: 546.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=C(C3=C(C=CC(=C3)Br)C(=O)N2CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1)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/C28H24BrN3O4/c29-20-7-8-21-22(15-20)25(19-4-2-1-3-5-19)26(28(34)31-12-10-30-11-13-31)32(27(21)33)16-18-6-9-23-24(14-18)36-17-35-23/h1-9,14-15,30H,10-13,16-17H2