1-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-5,6-dimethyl-benzimidazole

Systemtic Name: 1-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-5,6-dimethyl-benzimidazole Openeye Name: 1-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-5,6-dimethyl-benzimidazole CAS Name: 1-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-5,6-dimethylbenzimidazole IUPAC Name: 1-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole Traditional Name: 1-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-5,6-dimethyl-benzimidazole Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN5O2/c1-14-9-17-19(10-15(14)2)25(12-22-17)13-23-5-7-24(8-6-23)18-4-3-16(21)11-20(18)26(27)28/h3-4,9-12H,5-8,13H2,1-2H3