5-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]-2-nitro-benzaldehyde

Systemtic Name: 5-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]-2-nitro-benzaldehyde Openeye Name: 5-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]-2-nitro-benzaldehyde CAS Name: 5-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-oxoethoxy]-2-nitrobenzaldehyde IUPAC Name: 5-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-2-nitrobenzaldehyde Traditional Name: 5-[2-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-keto-ethoxy]-2-nitro-benzaldehyde Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O5/c1-15-11-25(16(2)10-24(15)12-17-3-5-19(23)6-4-17)22(28)14-31-20-7-8-21(26(29)30)18(9-20)13-27/h3-9,13,15-16H,10-12,14H2,1-2H3