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

Systemtic Name: (3Z)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-methyl-1,4-dihydroisoquinolin-7-ol Openeye Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-methyl-1,4-dihydroisoquinolin-7-ol CAS Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-methyl-1,4-dihydroisoquinolin-7-ol IUPAC Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-methyl-1,4-dihydroisoquinolin-7-ol Traditional Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-methyl-1,4-dihydroisoquinolin-7-ol Formula: C20H22BrN2O6P MolecularWeight: 497.276241

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CC(=NP(=O)(OC)OC)N1CC3=CC4=C(C=C3Br)OCO4)C=CC(=C2)O

Isomeric SMILES

CC1C2=C(C/C(=N/P(=O)(OC)OC)/N1CC3=CC4=C(C=C3Br)OCO4)C=CC(=C2)O

InChI

InChI=1S/C20H22BrN2O6P/c1-12-16-8-15(24)5-4-13(16)7-20(22-30(25,26-2)27-3)23(12)10-14-6-18-19(9-17(14)21)29-11-28-18/h4-6,8-9,12,24H,7,10-11H2,1-3H3/b22-20-