N-[1-methyl-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-[2-(4-benzoyl-1-piperazinyl)ethyl]-1-methyl-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-[2-(4-benzoylpiperazino)ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CCN4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CCN4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O4/c1-31-25-12-9-22(29-27(35)20-7-10-23(11-8-20)34(37)38)19-24(25)30-26(31)13-14-32-15-17-33(18-16-32)28(36)21-5-3-2-4-6-21/h2-12,19H,13-18H2,1H3,(H,29,35)