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

Systemtic Name: 5-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 1,3-dimethyl-5-nitro-6-(4-p-anisoylpiperazino)benzimidazol-2-one Formula: C21H23N5O5 MolecularWeight: 425.43782

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5/c1-22-16-12-18(19(26(29)30)13-17(16)23(2)21(22)28)24-8-10-25(11-9-24)20(27)14-4-6-15(31-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3