5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one

Systemtic Name: 5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-[4-(3-fluorobenzoyl)piperazino]-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C20H20FN5O4 MolecularWeight: 413.402303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN5O4/c1-22-15-11-17(18(26(29)30)12-16(15)23(2)20(22)28)24-6-8-25(9-7-24)19(27)13-4-3-5-14(21)10-13/h3-5,10-12H,6-9H2,1-2H3