2-butyl-4-[5-(2-chloranyl-6-fluoranyl-phenyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one

Systemtic Name: 2-butyl-4-[5-(2-chloranyl-6-fluoranyl-phenyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Openeye Name: 2-butyl-4-[5-(2-chloro-6-fluoro-phenyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 2-butyl-4-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-butyl-4-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-butyl-4-[5-(2-chloro-6-fluoro-phenyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C20H16ClFN4O2 MolecularWeight: 398.818043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C3=NN=C(O3)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C3=NN=C(O3)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H16ClFN4O2/c1-2-3-11-26-20(27)13-8-5-4-7-12(13)17(25-26)19-24-23-18(28-19)16-14(21)9-6-10-15(16)22/h4-10H,2-3,11H2,1H3