2-[[1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-4-nitro-3H-isoindol-1-one

Systemtic Name: 2-[[1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-4-nitro-3H-isoindol-1-one Openeye Name: 2-[[1-[2-(4-fluorophenyl)-2-oxo-ethyl]-4-piperidyl]methyl]-4-nitro-isoindolin-1-one CAS Name: 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-4-nitro-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-4-nitro-3H-isoindol-1-one Traditional Name: 2-[[1-[2-(4-fluorophenyl)-2-keto-ethyl]-4-piperidyl]methyl]-4-nitro-isoindolin-1-one Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=C(C2=O)C=CC=C3[N+](=O)[O-])CC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1CN2CC3=C(C2=O)C=CC=C3[N+](=O)[O-])CC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O4/c23-17-6-4-16(5-7-17)21(27)14-24-10-8-15(9-11-24)12-25-13-19-18(22(25)28)2-1-3-20(19)26(29)30/h1-7,15H,8-14H2