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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-methoxy-6-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C27H23BrN2O5 MolecularWeight: 535.38592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4Br)OCO5)C=C)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4Br)OCO5)C=C)O

InChI

InChI=1S/C27H23BrN2O5/c1-3-22-19-11-24(33-2)23(31)10-18(19)20(27(32)29-17-7-5-4-6-8-17)14-30(22)13-16-9-25-26(12-21(16)28)35-15-34-25/h3-12,14,22,31H,1,13,15H2,2H3,(H,29,32)