5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-methyl-4-nitro-imidazole

Systemtic Name: 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-methyl-4-nitro-imidazole Openeye Name: 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-methyl-4-nitro-imidazole CAS Name: 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-1-methyl-4-nitroimidazole IUPAC Name: 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-methyl-4-nitroimidazole Traditional Name: 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-1-methyl-4-nitro-imidazole Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-19-11-18-16(21(22)23)17(19)20-7-2-4-13(20)12-5-6-14-15(10-12)25-9-3-8-24-14/h5-6,10-11,13H,2-4,7-9H2,1H3