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

Systemtic Name: 2-[1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanol Openeye Name: 2-[[1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]ethanol CAS Name: 2-[[1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]oxy]ethanol IUPAC Name: 2-[1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]oxyethanol Traditional Name: 2-[[1-[4-[(3-bromo-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]ethanol Formula: C24H26BrN5O3 MolecularWeight: 512.39894

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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-])N4CCC(CC4)OCCO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)OCCO)Br

InChI

InChI=1S/C24H26BrN5O3/c1-26-17-4-5-19-20(14-17)23(27-15-16-3-6-22(32-2)21(25)13-16)28-29-24(19)30-9-7-18(8-10-30)33-12-11-31/h3-6,13-14,18,31H,7-12,15H2,2H3,(H,27,28)