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

Systemtic Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-(4-o-phenetylpiperazine-1-carbonyl)phthalazin-1-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-2-35-25-15-9-8-14-24(25)30-16-18-31(19-17-30)28(34)26-22-12-6-7-13-23(22)27(33)32(29-26)20-21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3