2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-isopropyl-piperazin-1-yl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-yl-1-piperazinyl]-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-[(2S)-4-(2-fluorobenzyl)-2-isopropyl-piperazino]-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3C(C)C)CC4=CC=CC=C4F

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(C[C@@H]3C(C)C)CC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O2/c1-17(2)23-15-28(14-19-8-4-7-11-22(19)26)12-13-29(23)24(31)16-30-25(32)21-10-6-5-9-20(21)18(3)27-30/h4-11,17,23H,12-16H2,1-3H3/t23-/m1/s1