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

Systemtic Name: [1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]methanol Openeye Name: [1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]methanol CAS Name: [1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]methanol Traditional Name: [1-[4-[(3-bromo-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]methanol Formula: C23H24BrN5O2 MolecularWeight: 482.37296

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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)CO)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN5O2/c1-25-17-4-5-18-19(12-17)22(26-13-16-3-6-21(31-2)20(24)11-16)27-28-23(18)29-9-7-15(14-30)8-10-29/h3-6,11-12,15,30H,7-10,13-14H2,2H3,(H,26,27)