N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitroimidazol-4-yl)piperazine-1-carboxamide Traditional Name: 4-(3-methyl-5-nitro-imidazol-4-yl)-N-piperonyl-piperazine-1-carboxamide Formula: C17H20N6O5 MolecularWeight: 388.3779

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O5/c1-20-10-19-15(23(25)26)16(20)21-4-6-22(7-5-21)17(24)18-9-12-2-3-13-14(8-12)28-11-27-13/h2-3,8,10H,4-7,9,11H2,1H3,(H,18,24)