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

Systemtic Name: 1,3-dimethyl-5-nitro-6-[4-(phenylcarbonyl)piperazin-1-yl]benzimidazol-2-one Openeye Name: 5-(4-benzoylpiperazin-1-yl)-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-(4-benzoyl-1-piperazinyl)-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-(4-benzoylpiperazin-1-yl)-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-(4-benzoylpiperazino)-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C20H21N5O4 MolecularWeight: 395.41184

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-21-15-12-17(18(25(28)29)13-16(15)22(2)20(21)27)23-8-10-24(11-9-23)19(26)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3