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

Systemtic Name: 8-[4-[(3-bromanyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Openeye Name: 8-[4-[(3-bromo-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol CAS Name: 8-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-8-azabicyclo[3.2.1]octan-3-ol IUPAC Name: 8-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Traditional Name: 8-[4-[(3-bromo-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Formula: C24H24BrN5O MolecularWeight: 478.38426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4C5CCC4CC(C5)O)Br

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4C5CCC4CC(C5)O)Br

InChI

InChI=1S/C24H24BrN5O/c1-14-3-4-15(9-22(14)25)13-27-23-21-10-16(26-2)5-8-20(21)24(29-28-23)30-17-6-7-18(30)12-19(31)11-17/h3-5,8-10,17-19,31H,6-7,11-13H2,1H3,(H,27,28)