1-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole

Systemtic Name: 1-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Openeye Name: 1-[[1-[(3-nitrophenyl)methyl]-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole CAS Name: 1-[[1-[(3-nitrophenyl)methyl]-4-piperidinyl]methyl]-2-(phenoxymethyl)benzimidazole IUPAC Name: 1-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Traditional Name: 1-[[1-(3-nitrobenzyl)-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O3/c32-31(33)23-8-6-7-22(17-23)18-29-15-13-21(14-16-29)19-30-26-12-5-4-11-25(26)28-27(30)20-34-24-9-2-1-3-10-24/h1-12,17,21H,13-16,18-20H2