3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[4-[2-(4-methoxyphenyl)ethyl]piperidino]ethyl]-2H-phthalazine-1,4-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H27N3O4/c1-31-19-10-8-17(9-11-19)6-7-18-12-14-26(15-13-18)22(28)16-27-24(30)21-5-3-2-4-20(21)23(29)25-27/h2-5,8-11,18H,6-7,12-16H2,1H3,(H,25,29)