1-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]benzimidazol-2-one

Systemtic Name: 1-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]benzimidazol-2-one Openeye Name: 1-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethyl]benzimidazol-2-one CAS Name: 1-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-oxoethyl]-2-benzimidazolone IUPAC Name: 1-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one Traditional Name: 1-[2-keto-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethyl]-3-methyl-benzimidazol-2-one Formula: C21H20F3N5O4 MolecularWeight: 463.40981

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N5O4/c1-25-15-4-2-3-5-17(15)28(20(25)31)13-19(30)27-10-8-26(9-11-27)16-7-6-14(21(22,23)24)12-18(16)29(32)33/h2-7,12H,8-11,13H2,1H3