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

Systemtic Name: 2-(2-methoxyphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one CAS Name: 2-(2-methoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c1-34-25-14-8-7-13-24(25)31-27(32)23-12-6-5-11-22(23)26(29-31)28(33)30-17-15-21(16-18-30)19-20-9-3-2-4-10-20/h2-14,21H,15-19H2,1H3