2-methyl-4-[4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]phenyl]phthalazin-1-one Openeye Name: 4-[4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethoxy]phenyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]phenyl]-1-phthalazinone IUPAC Name: 4-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[2-(4-benzylpiperidino)-2-keto-ethoxy]phenyl]-2-methyl-phthalazin-1-one Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3/c1-31-29(34)26-10-6-5-9-25(26)28(30-31)23-11-13-24(14-12-23)35-20-27(33)32-17-15-22(16-18-32)19-21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3