2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]-4-(4-isobutylphenyl)phthalazin-1-one CAS Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]-4-[4-(2-methylpropyl)phenyl]-1-phthalazinone IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one Traditional Name: 2-[2-(4-fluorophenyl)-2-keto-ethyl]-4-(4-isobutylphenyl)phthalazin-1-one Formula: C26H23FN2O2 MolecularWeight: 414.471423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H23FN2O2/c1-17(2)15-18-7-9-20(10-8-18)25-22-5-3-4-6-23(22)26(31)29(28-25)16-24(30)19-11-13-21(27)14-12-19/h3-14,17H,15-16H2,1-2H3