2-(2-azanyl-5-nitro-phenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone

Systemtic Name: 2-(2-azanyl-5-nitro-phenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone Openeye Name: 2-(2-amino-5-nitro-phenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone CAS Name: 2-(2-amino-5-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-amino-5-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone Traditional Name: 2-(2-amino-5-nitro-phenoxy)-1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]ethanone Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O4/c1-14-11-25(15(2)10-24(14)12-16-3-5-17(22)6-4-16)21(27)13-30-20-9-18(26(28)29)7-8-19(20)23/h3-9,14-15H,10-13,23H2,1-2H3