1-piperidin-1-yl-2-[4-[4-[[3-(trifluoromethyl)phenyl]amino]phthalazin-1-yl]phenoxy]ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-[4-[[3-(trifluoromethyl)phenyl]amino]phthalazin-1-yl]phenoxy]ethanone Openeye Name: 1-(1-piperidyl)-2-[4-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]phenoxy]ethanone CAS Name: 1-(1-piperidinyl)-2-[4-[4-[3-(trifluoromethyl)anilino]-1-phthalazinyl]phenoxy]ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]phenoxy]ethanone Traditional Name: 1-piperidino-2-[4-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]phenoxy]ethanone Formula: C28H25F3N4O2 MolecularWeight: 506.51891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C28H25F3N4O2/c29-28(30,31)20-7-6-8-21(17-20)32-27-24-10-3-2-9-23(24)26(33-34-27)19-11-13-22(14-12-19)37-18-25(36)35-15-4-1-5-16-35/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,32,34)