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

Systemtic Name: 2-[1-[4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanol Openeye Name: 2-[[1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]ethanol CAS Name: 2-[[1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]oxy]ethanol IUPAC Name: 2-[1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]oxyethanol Traditional Name: 2-[[1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]ethanol Formula: C25H28ClN5O3 MolecularWeight: 481.97452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)OCCO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)OCCO)Cl

InChI

InChI=1S/C25H28ClN5O3/c1-27-18-4-5-20-21(16-18)24(28-10-7-17-3-6-23(33-2)22(26)15-17)29-30-25(20)31-11-8-19(9-12-31)34-14-13-32/h3-6,15-16,19,32H,7-14H2,2H3,(H,28,29)