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

Systemtic Name: pyridin-3-ylmethyl 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 3-pyridylmethyl 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 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 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 3-pyridylmethyl ester Formula: C30H21BrN2O5 MolecularWeight: 569.40214

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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)OCC6=CN=CC=C6

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)OCC6=CN=CC=C6

InChI

InChI=1S/C30H21BrN2O5/c31-22-9-10-23-24(14-22)27(21-6-2-1-3-7-21)28(30(35)36-17-20-5-4-12-32-15-20)33(29(23)34)16-19-8-11-25-26(13-19)38-18-37-25/h1-15H,16-18H2