5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[[1-[(4-phenyl-1-piperidyl)methyl]benzimidazol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[[1-[(4-phenyl-1-piperidinyl)methyl]-2-benzimidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[[1-[(4-phenylpiperidino)methyl]benzimidazol-2-yl]methyl]isoindoline-1,3-quinone Formula: C28H25N5O4 MolecularWeight: 495.5292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CN3C4=CC=CC=C4N=C3CN5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CN3C4=CC=CC=C4N=C3CN5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H25N5O4/c34-27-22-11-10-21(33(36)37)16-23(22)28(35)31(27)17-26-29-24-8-4-5-9-25(24)32(26)18-30-14-12-20(13-15-30)19-6-2-1-3-7-19/h1-11,16,20H,12-15,17-18H2