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

Systemtic Name: 8-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Openeye Name: 8-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol CAS Name: 8-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]-1-phthalazinyl]-8-azabicyclo[3.2.1]octan-3-ol IUPAC Name: 8-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Traditional Name: 8-[6-isocyano-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazin-1-yl]-8-azabicyclo[3.2.1]octan-3-ol Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O2/c1-15-10-16(4-9-23(15)32-3)14-27-24-22-11-17(26-2)5-8-21(22)25(29-28-24)30-18-6-7-19(30)13-20(31)12-18/h4-5,8-11,18-20,31H,6-7,12-14H2,1,3H3,(H,27,28)