8-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol

Systemtic Name: 8-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Openeye Name: 8-[4-[(3-bromo-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol CAS Name: 8-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-8-azabicyclo[3.2.1]octan-3-ol IUPAC Name: 8-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Traditional Name: 8-[4-[(3-bromo-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Formula: C24H24BrN5O2 MolecularWeight: 494.38366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4C5CCC4CC(C5)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4C5CCC4CC(C5)O)Br

InChI

InChI=1S/C24H24BrN5O2/c1-26-15-4-7-19-20(10-15)23(27-13-14-3-8-22(32-2)21(25)9-14)28-29-24(19)30-16-5-6-17(30)12-18(31)11-16/h3-4,7-10,16-18,31H,5-6,11-13H2,2H3,(H,27,28)