5-chloranyl-3-[1-[(5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 5-chloranyl-3-[1-[(5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 5-chloro-3-[1-[(5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 5-chloro-3-[1-[(5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 5-chloro-3-[1-[(5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 5-chloro-3-[1-[(5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=CC(=C3)Cl)NC2=O)CC4COC5=CC=CC(=C5O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=C(C=CC(=C3)Cl)NC2=O)CC4COC5=CC=CC(=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O5/c22-13-4-5-16-18(10-13)25(21(27)23-16)14-6-8-24(9-7-14)11-15-12-30-19-3-1-2-17(26(28)29)20(19)31-15/h1-5,10,14-15H,6-9,11-12H2,(H,23,27)