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

Systemtic Name: (3Z)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-1,4-dihydroisoquinolin-7-ol Openeye Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-1,4-dihydroisoquinolin-7-ol CAS Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-1,4-dihydroisoquinolin-7-ol IUPAC Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-1,4-dihydroisoquinolin-7-ol Traditional Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-3-diphenoxyphosphorylimino-1,4-dihydroisoquinolin-7-ol Formula: C32H28BrN2O6P MolecularWeight: 647.452281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2C3=C(CC(=NP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)N2CC6=CC7=C(C=C6Br)OCO7)C=CC(=C3)O

Isomeric SMILES

C1CC1C2C3=C(C/C(=N/P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)/N2CC6=CC7=C(C=C6Br)OCO7)C=CC(=C3)O

InChI

InChI=1S/C32H28BrN2O6P/c33-28-18-30-29(38-20-39-30)15-23(28)19-35-31(16-22-13-14-24(36)17-27(22)32(35)21-11-12-21)34-42(37,40-25-7-3-1-4-8-25)41-26-9-5-2-6-10-26/h1-10,13-15,17-18,21,32,36H,11-12,16,19-20H2/b34-31-