N-[1-methyl-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-[2-(4-benzoyl-1-piperazinyl)ethyl]-1-methyl-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[2-(4-benzoylpiperazino)ethyl]-1-methyl-benzimidazol-5-yl]-3-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(=CC=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(=CC=C3)[N+](=O)[O-])N=C1CCN4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

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