(3Z)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-7-methoxy-1,4-dihydroisoquinolin-6-ol

Systemtic Name: (3Z)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-7-methoxy-1,4-dihydroisoquinolin-6-ol Openeye Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-7-methoxy-1,4-dihydroisoquinolin-6-ol CAS Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-7-methoxy-1,4-dihydroisoquinolin-6-ol IUPAC Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-7-methoxy-1,4-dihydroisoquinolin-6-ol Traditional Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-7-methoxy-1,4-dihydroisoquinolin-6-ol Formula: C33H30BrN2O7P MolecularWeight: 677.478261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=NP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)N(C(C2=C1)C5CC5)CC6=CC7=C(C=C6Br)OCO7)O

Isomeric SMILES

COC1=C(C=C2C/C(=N/P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)/N(C(C2=C1)C5CC5)CC6=CC7=C(C=C6Br)OCO7)O

InChI

InChI=1S/C33H30BrN2O7P/c1-39-29-17-26-22(14-28(29)37)16-32(35-44(38,42-24-8-4-2-5-9-24)43-25-10-6-3-7-11-25)36(33(26)21-12-13-21)19-23-15-30-31(18-27(23)34)41-20-40-30/h2-11,14-15,17-18,21,33,37H,12-13,16,19-20H2,1H3/b35-32-