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

Systemtic Name: 1-[6-isocyano-4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[6-isocyano-4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[6-isocyano-4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[6-isocyano-4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[6-isocyano-4-[[4-methoxy-3-(trifluoromethyl)benzyl]amino]phthalazin-1-yl]piperidin-4-ol Formula: C23H22F3N5O2 MolecularWeight: 457.44829

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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)O)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3N5O2/c1-27-15-4-5-17-18(12-15)21(29-30-22(17)31-9-7-16(32)8-10-31)28-13-14-3-6-20(33-2)19(11-14)23(24,25)26/h3-6,11-12,16,32H,7-10,13H2,2H3,(H,28,29)