4-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C22H23FN4O3/c1-30-20-7-6-15(12-18(20)23)14-26-8-10-27(11-9-26)21(28)13-19-16-4-2-3-5-17(16)22(29)25-24-19/h2-7,12H,8-11,13-14H2,1H3,(H,25,29)