3-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C21H22N4O5/c26-21-22-18-3-1-2-4-19(18)24(21)16-5-7-23(8-6-16)11-14-9-17(25(27)28)10-15-12-29-13-30-20(14)15/h1-4,9-10,16H,5-8,11-13H2,(H,22,26)