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

Systemtic Name: 2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-isopropyl-piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-yl-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-[(2S)-4-(2-fluorobenzyl)-2-isopropyl-piperazino]-2-keto-ethyl]phthalazin-1-one Formula: C24H27FN4O2 MolecularWeight: 422.495183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)[C@H]1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=CC=C4F

InChI

InChI=1S/C24H27FN4O2/c1-17(2)22-15-27(14-19-8-4-6-10-21(19)25)11-12-28(22)23(30)16-29-24(31)20-9-5-3-7-18(20)13-26-29/h3-10,13,17,22H,11-12,14-16H2,1-2H3/t22-/m1/s1