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

Systemtic Name: 1,3-dimethyl-5-nitro-6-[4-(2-phenylethanoyl)piperazin-1-yl]benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-nitro-6-[4-(2-phenylacetyl)piperazin-1-yl]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-nitro-6-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-nitro-6-[4-(2-phenylacetyl)piperazin-1-yl]benzimidazol-2-one Traditional Name: 1,3-dimethyl-5-nitro-6-[4-(2-phenylacetyl)piperazino]benzimidazol-2-one Formula: C21H23N5O4 MolecularWeight: 409.43842

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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)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4/c1-22-16-13-18(19(26(29)30)14-17(16)23(2)21(22)28)24-8-10-25(11-9-24)20(27)12-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3