2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]-2-fluoranyl-ethanol

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]-2-fluoranyl-ethanol Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]-2-fluoro-ethanol CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]-2-fluoroethanol IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]-2-fluoroethanol Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]-2-fluoro-ethanol Formula: C24H25ClFN5O2 MolecularWeight: 469.939003

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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)C(CO)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClFN5O2/c1-27-17-4-5-18-19(12-17)23(28-13-15-3-6-22(33-2)20(25)11-15)29-30-24(18)31-9-7-16(8-10-31)21(26)14-32/h3-6,11-12,16,21,32H,7-10,13-14H2,2H3,(H,28,29)