4-[6,7-bis(fluoranyl)-1,3-benzodioxol-5-yl]-7-methyl-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one

Systemtic Name: 4-[6,7-bis(fluoranyl)-1,3-benzodioxol-5-yl]-7-methyl-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one Openeye Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-methyl-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one CAS Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-methyl-2-[4-(trifluoromethyl)phenyl]-1-phthalazinone IUPAC Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-methyl-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one Traditional Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-methyl-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one Formula: C23H13F5N2O3 MolecularWeight: 460.352936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C2=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC5=C(C(=C4F)F)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C2=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC5=C(C(=C4F)F)OCO5

InChI

InChI=1S/C23H13F5N2O3/c1-11-2-7-14-15(8-11)22(31)30(13-5-3-12(4-6-13)23(26,27)28)29-20(14)16-9-17-21(33-10-32-17)19(25)18(16)24/h2-9H,10H2,1H3