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

Systemtic Name: 2-(3-methoxyphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one CAS Name: 2-(3-methoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

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