1-(4-fluorophenyl)-4-[4-[2-(2-methyl-5-nitro-phenoxy)ethyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[4-[2-(2-methyl-5-nitro-phenoxy)ethyl]piperazin-1-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[4-[2-(2-methyl-5-nitro-phenoxy)ethyl]piperazin-1-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[4-[2-(2-methyl-5-nitrophenoxy)ethyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[4-[2-(2-methyl-5-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[4-[2-(2-methyl-5-nitro-phenoxy)ethyl]piperazino]butan-1-one Formula: C23H28FN3O4 MolecularWeight: 429.484523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCCN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCCN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O4/c1-18-4-9-21(27(29)30)17-23(18)31-16-15-26-13-11-25(12-14-26)10-2-3-22(28)19-5-7-20(24)8-6-19/h4-9,17H,2-3,10-16H2,1H3