2-[1-[4-[(3-bromanyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanol

Systemtic Name: 2-[1-[4-[(3-bromanyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanol Openeye Name: 2-[[1-[4-[(3-bromo-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]ethanol CAS Name: 2-[[1-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]oxy]ethanol IUPAC Name: 2-[1-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]oxyethanol Traditional Name: 2-[[1-[4-[(3-bromo-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]ethanol Formula: C24H26BrN5O2 MolecularWeight: 496.39954

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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-])N4CCC(CC4)OCCO)Br

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)OCCO)Br

InChI

InChI=1S/C24H26BrN5O2/c1-16-3-4-17(13-22(16)25)15-27-23-21-14-18(26-2)5-6-20(21)24(29-28-23)30-9-7-19(8-10-30)32-12-11-31/h3-6,13-14,19,31H,7-12,15H2,1H3,(H,27,28)