2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-nitro-1H-benzimidazole

Systemtic Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-nitro-1H-benzimidazole CAS Name: 2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-6-nitro-1H-benzimidazole IUPAC Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazino]methyl]-6-nitro-1H-benzimidazole Formula: C25H23F2N5O2 MolecularWeight: 463.479226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H23F2N5O2/c26-19-5-1-17(2-6-19)25(18-3-7-20(27)8-4-18)31-13-11-30(12-14-31)16-24-28-22-10-9-21(32(33)34)15-23(22)29-24/h1-10,15,25H,11-14,16H2,(H,28,29)