2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C26H21BrN2O4 MolecularWeight: 505.35994

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C=CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H21BrN2O4/c1-2-23-20-11-18(30)8-9-19(20)21(26(31)28-17-6-4-3-5-7-17)14-29(23)13-16-10-24-25(12-22(16)27)33-15-32-24/h2-12,14,23,30H,1,13,15H2,(H,28,31)