2-[2-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]ethyl]-6,7-dimethoxy-phthalazin-1-one

Systemtic Name: 2-[2-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]ethyl]-6,7-dimethoxy-phthalazin-1-one Openeye Name: 2-[2-[4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]ethyl]-6,7-dimethoxy-phthalazin-1-one CAS Name: 2-[2-[4-[(4-fluorophenyl)-hydroxymethyl]-1-piperidinyl]ethyl]-6,7-dimethoxy-1-phthalazinone IUPAC Name: 2-[2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-6,7-dimethoxyphthalazin-1-one Traditional Name: 2-[2-[4-[(4-fluorophenyl)-hydroxy-methyl]piperidino]ethyl]-6,7-dimethoxy-phthalazin-1-one Formula: C24H28FN3O4 MolecularWeight: 441.495223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NN(C2=O)CCN3CCC(CC3)C(C4=CC=C(C=C4)F)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NN(C2=O)CCN3CCC(CC3)C(C4=CC=C(C=C4)F)O)OC

InChI

InChI=1S/C24H28FN3O4/c1-31-21-13-18-15-26-28(24(30)20(18)14-22(21)32-2)12-11-27-9-7-17(8-10-27)23(29)16-3-5-19(25)6-4-16/h3-6,13-15,17,23,29H,7-12H2,1-2H3