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

Systemtic Name: (3Z)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-methyl-1,4-dihydroisoquinolin-6-ol Openeye Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-methyl-1,4-dihydroisoquinolin-6-ol CAS Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-methyl-1,4-dihydroisoquinolin-6-ol IUPAC Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-methyl-1,4-dihydroisoquinolin-6-ol Traditional Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-methyl-1,4-dihydroisoquinolin-6-ol Formula: C31H28BrN2O7P MolecularWeight: 651.440981

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC(=NP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)N1CC5=CC6=C(C=C5Br)OCO6)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C/C(=N/P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)/N1CC5=CC6=C(C=C5Br)OCO6)O)OC

InChI

InChI=1S/C31H28BrN2O7P/c1-20-25-16-28(37-2)27(35)13-21(25)15-31(34(20)18-22-14-29-30(17-26(22)32)39-19-38-29)33-42(36,40-23-9-5-3-6-10-23)41-24-11-7-4-8-12-24/h3-14,16-17,20,35H,15,18-19H2,1-2H3/b33-31-