4-(4-ethanoylpiperazin-1-yl)-N-(1-ethylbenzimidazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-(1-ethylbenzimidazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(1-ethylbenzimidazol-2-yl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(1-ethyl-2-benzimidazolyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(1-ethylbenzimidazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(1-ethylbenzimidazol-2-yl)-3-nitro-benzamide Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-3-27-18-7-5-4-6-17(18)23-22(27)24-21(30)16-8-9-19(20(14-16)28(31)32)26-12-10-25(11-13-26)15(2)29/h4-9,14H,3,10-13H2,1-2H3,(H,23,24,30)