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

Systemtic Name: 2-(2,4-dimethoxyphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(2,4-dimethoxyphenyl)phthalazin-1-one CAS Name: 2-(2,4-dimethoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(2,4-dimethoxyphenyl)phthalazin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(2,4-dimethoxyphenyl)phthalazin-1-one Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O4/c1-35-22-12-13-25(26(19-22)36-2)32-28(33)24-11-7-6-10-23(24)27(30-32)29(34)31-16-14-21(15-17-31)18-20-8-4-3-5-9-20/h3-13,19,21H,14-18H2,1-2H3