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

Systemtic Name: 1,3-dimethyl-5-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-6-nitro-benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-[4-(4-methylbenzoyl)piperazin-1-yl]-6-nitro-benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-6-nitro-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[4-(4-methylbenzoyl)piperazin-1-yl]-6-nitrobenzimidazol-2-one Traditional Name: 1,3-dimethyl-5-nitro-6-(4-p-toluoylpiperazino)benzimidazol-2-one Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-14-4-6-15(7-5-14)20(27)25-10-8-24(9-11-25)18-12-16-17(13-19(18)26(29)30)23(3)21(28)22(16)2/h4-7,12-13H,8-11H2,1-3H3