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

Systemtic Name: N-[1-methyl-2-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-[(4-benzoyl-1-piperazinyl)methyl]-1-methyl-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-[(4-benzoylpiperazino)methyl]-1-methyl-benzimidazol-5-yl]-4-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=C(C=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=C(C=C3)[N+](=O)[O-])N=C1CN4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

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