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

Systemtic Name: [1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-fluoranyl-piperidin-4-yl]methanol Openeye Name: [1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-fluoro-4-piperidyl]methanol CAS Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-fluoro-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-fluoropiperidin-4-yl]methanol Traditional Name: [1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-fluoro-4-piperidyl]methanol Formula: C23H23ClFN5O2 MolecularWeight: 455.912423

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFN5O2/c1-26-16-4-5-17-18(12-16)21(27-13-15-3-6-20(32-2)19(24)11-15)28-29-22(17)30-9-7-23(25,14-31)8-10-30/h3-6,11-12,31H,7-10,13-14H2,2H3,(H,27,28)