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

Systemtic Name: N-[1-methyl-2-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-[(4-benzoyl-1-piperazinyl)methyl]-1-methyl-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[(4-benzoylpiperazino)methyl]-1-methyl-benzimidazol-5-yl]-3-nitro-benzamide Formula: C27H26N6O4 MolecularWeight: 498.53314

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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=C1CN4CCN(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=C1CN4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N6O4/c1-30-24-11-10-21(28-26(34)20-8-5-9-22(16-20)33(36)37)17-23(24)29-25(30)18-31-12-14-32(15-13-31)27(35)19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,28,34)