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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-(fluoranylmethyl)piperidin-4-ol Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-(fluoromethyl)piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-(fluoromethyl)-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-(fluoromethyl)piperidin-4-ol Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-(fluoromethyl)piperidin-4-ol 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)(CF)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)(CF)O)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(31,14-25)8-10-30/h3-6,11-12,31H,7-10,13-14H2,2H3,(H,27,28)