4-fluoranyl-N-[2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-fluoranyl-N-[2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]benzamide Openeye Name: 4-fluoro-N-[2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]ethyl]benzamide CAS Name: 4-fluoro-N-[2-[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-fluoro-N-[2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]ethyl]benzamide Traditional Name: 4-fluoro-N-[2-[4-(4-methyl-3-nitro-benzoyl)piperazino]ethyl]benzamide Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O4/c1-15-2-3-17(14-19(15)26(29)30)21(28)25-12-10-24(11-13-25)9-8-23-20(27)16-4-6-18(22)7-5-16/h2-7,14H,8-13H2,1H3,(H,23,27)