2-[[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-[2-(4-fluorophenyl)-1-oxoethyl]-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-[2-(4-fluorophenyl)acetyl]piperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O2/c28-22-12-10-20(11-13-22)18-25(33)31-16-14-30(15-17-31)19-32-27(34)24-9-5-4-8-23(24)26(29-32)21-6-2-1-3-7-21/h1-13H,14-19H2