4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-benzyl-phthalazin-1-one CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-benzylphthalazin-1-one Traditional Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-benzyl-phthalazin-1-one Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c1-20(33)22-11-13-23(14-12-22)30-15-17-31(18-16-30)28(35)26-24-9-5-6-10-25(24)27(34)32(29-26)19-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3