4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-34-22-11-7-10-21(18-22)29-14-16-30(17-15-29)27(33)25-23-12-5-6-13-24(23)26(32)31(28-25)19-20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3