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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-4-phenyl-2-piperonyl-isoquinoline-3-carboxylic acid methyl ester Formula: C25H18BrNO5 MolecularWeight: 492.31812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H18BrNO5/c1-30-25(29)23-22(16-5-3-2-4-6-16)19-12-17(26)8-9-18(19)24(28)27(23)13-15-7-10-20-21(11-15)32-14-31-20/h2-12H,13-14H2,1H3