2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonyl chloride

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonyl chloride Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carbonyl chloride CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarbonyl chloride IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenylisoquinoline-3-carbonyl chloride Traditional Name: 6-bromo-1-keto-4-phenyl-2-piperonyl-isoquinoline-3-carbonyl chloride Formula: C24H15BrClNO4 MolecularWeight: 496.7372

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)Cl

InChI

InChI=1S/C24H15BrClNO4/c25-16-7-8-17-18(11-16)21(15-4-2-1-3-5-15)22(23(26)28)27(24(17)29)12-14-6-9-19-20(10-14)31-13-30-19/h1-11H,12-13H2