3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C20H20N4O5/c25-20-21-15-3-1-2-4-16(15)23(20)14-5-7-22(8-6-14)11-13-9-18-19(29-12-28-18)10-17(13)24(26)27/h1-4,9-10,14H,5-8,11-12H2,(H,21,25)