3-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H23FN4O5 MolecularWeight: 454.450923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F

InChI

InChI=1S/C23H23FN4O5/c1-33-19-7-6-15(12-18(19)24)13-26-8-10-27(11-9-26)20(29)14-28-22(30)17-5-3-2-4-16(17)21(25-28)23(31)32/h2-7,12H,8-11,13-14H2,1H3,(H,31,32)