1-[4-[4-(2-cyclopropyl-5-nitro-phenyl)carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-(2-cyclopropyl-5-nitro-phenyl)carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-(2-cyclopropyl-5-nitro-benzoyl)piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[(2-cyclopropyl-5-nitrophenyl)-oxomethyl]-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-(2-cyclopropyl-5-nitrobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-(2-cyclopropyl-5-nitro-benzoyl)piperazino]-3-fluoro-phenyl]ethanone Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C4CC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C4CC4)F

InChI

InChI=1S/C22H22FN3O4/c1-14(27)16-4-7-21(20(23)12-16)24-8-10-25(11-9-24)22(28)19-13-17(26(29)30)5-6-18(19)15-2-3-15/h4-7,12-13,15H,2-3,8-11H2,1H3