2-[[1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-6-nitro-3H-isoindol-1-one

Systemtic Name: 2-[[1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-6-nitro-3H-isoindol-1-one Openeye Name: 2-[[1-[2-(4-fluorophenyl)-2-oxo-ethyl]-4-piperidyl]methyl]-6-nitro-isoindolin-1-one CAS Name: 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-6-nitro-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-6-nitro-3H-isoindol-1-one Traditional Name: 2-[[1-[2-(4-fluorophenyl)-2-keto-ethyl]-4-piperidyl]methyl]-6-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=C(C=C3)[N+](=O)[O-])CC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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