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

Systemtic Name: 1-[6-isocyano-4-[[4-methyl-3-(trifluoromethyl)phenyl]methylamino]phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[6-isocyano-4-[[4-methyl-3-(trifluoromethyl)phenyl]methylamino]phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[6-isocyano-4-[[4-methyl-3-(trifluoromethyl)phenyl]methylamino]-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[6-isocyano-4-[[4-methyl-3-(trifluoromethyl)phenyl]methylamino]phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[6-isocyano-4-[[4-methyl-3-(trifluoromethyl)benzyl]amino]phthalazin-1-yl]piperidin-4-ol Formula: C23H22F3N5O MolecularWeight: 441.44889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)C(F)(F)F

Isomeric SMILES

CC1=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/C23H22F3N5O/c1-14-3-4-15(11-20(14)23(24,25)26)13-28-21-19-12-16(27-2)5-6-18(19)22(30-29-21)31-9-7-17(32)8-10-31/h3-6,11-12,17,32H,7-10,13H2,1H3,(H,28,29)