4-[[5-[4-fluoranyl-3-(trifluoromethyl)phenyl]furan-2-yl]methylamino]-2H-phthalazin-1-one

Systemtic Name: 4-[[5-[4-fluoranyl-3-(trifluoromethyl)phenyl]furan-2-yl]methylamino]-2H-phthalazin-1-one Openeye Name: 4-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-furyl]methylamino]-2H-phthalazin-1-one CAS Name: 4-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-furanyl]methylamino]-2H-phthalazin-1-one IUPAC Name: 4-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methylamino]-2H-phthalazin-1-one Traditional Name: 4-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-furyl]methylamino]-2H-phthalazin-1-one Formula: C20H13F4N3O2 MolecularWeight: 403.329733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCC3=CC=C(O3)C4=CC(=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCC3=CC=C(O3)C4=CC(=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C20H13F4N3O2/c21-16-7-5-11(9-15(16)20(22,23)24)17-8-6-12(29-17)10-25-18-13-3-1-2-4-14(13)19(28)27-26-18/h1-9H,10H2,(H,25,26)(H,27,28)