4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]-3-nitro-benzonitrile CAS Name: 4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-oxoethoxy]-3-nitrobenzonitrile IUPAC Name: 4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-3-nitrobenzonitrile Traditional Name: 4-[2-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-keto-ethoxy]-3-nitro-benzonitrile Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O4/c1-15-12-26(16(2)11-25(15)13-17-3-6-19(23)7-4-17)22(28)14-31-21-8-5-18(10-24)9-20(21)27(29)30/h3-9,15-16H,11-14H2,1-2H3