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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)[C@H]1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4F

InChI

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