4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H23FN4O3 MolecularWeight: 470.494923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H23FN4O3/c28-21-12-10-20(11-13-21)25(33)30-14-16-31(17-15-30)27(35)24-22-8-4-5-9-23(22)26(34)32(29-24)18-19-6-2-1-3-7-19/h1-13H,14-18H2