2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-4-[2-keto-2-(4-methylpiperazino)ethyl]phthalazin-1-one Formula: C22H22BrFN4O2 MolecularWeight: 473.338083

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC2=NN(C(=O)C3=CC=CC=C32)CC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CN1CCN(CC1)C(=O)CC2=NN(C(=O)C3=CC=CC=C32)CC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H22BrFN4O2/c1-26-8-10-27(11-9-26)21(29)13-20-17-4-2-3-5-18(17)22(30)28(25-20)14-15-6-7-16(23)12-19(15)24/h2-7,12H,8-11,13-14H2,1H3