3-[3-[4-[[2-(4-nitrophenyl)phenyl]methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-[[2-(4-nitrophenyl)phenyl]methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-[[2-(4-nitrophenyl)phenyl]methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-[[2-(4-nitrophenyl)phenyl]methyl]-1-piperazinyl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-[[2-(4-nitrophenyl)phenyl]methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[4-[2-(4-nitrophenyl)benzyl]piperazino]propyl]-1H-benzimidazol-2-one Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O3/c33-27-28-25-8-3-4-9-26(25)31(27)15-5-14-29-16-18-30(19-17-29)20-22-6-1-2-7-24(22)21-10-12-23(13-11-21)32(34)35/h1-4,6-13H,5,14-20H2,(H,28,33)