3-[1-[2-[4-nitro-2-(phenylmethyl)phenoxy]ethanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-[4-nitro-2-(phenylmethyl)phenoxy]ethanoyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-(2-benzyl-4-nitro-phenoxy)acetyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-[4-nitro-2-(phenylmethyl)phenoxy]-1-oxoethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-(2-benzyl-4-nitrophenoxy)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-(2-benzyl-4-nitro-phenoxy)acetyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O5/c32-26(29-14-12-21(13-15-29)30-24-9-5-4-8-23(24)28-27(30)33)18-36-25-11-10-22(31(34)35)17-20(25)16-19-6-2-1-3-7-19/h1-11,17,21H,12-16,18H2,(H,28,33)