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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-1-oxidanylidene-4-phenyl-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-N-(4-pyridylmethyl)isoquinoline-3-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-N-(pyridin-4-ylmethyl)-3-isoquinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide Traditional Name: 6-bromo-1-keto-4-phenyl-2-piperonyl-N-(4-pyridylmethyl)isoquinoline-3-carboxamide Formula: C30H22BrN3O4 MolecularWeight: 568.41738

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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)NCC6=CC=NC=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)NCC6=CC=NC=C6

InChI

InChI=1S/C30H22BrN3O4/c31-22-7-8-23-24(15-22)27(21-4-2-1-3-5-21)28(29(35)33-16-19-10-12-32-13-11-19)34(30(23)36)17-20-6-9-25-26(14-20)38-18-37-25/h1-15H,16-18H2,(H,33,35)