1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methyl-5-nitro-4-imidazolyl)piperazine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methyl-5-nitroimidazol-4-yl)piperazine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-19-12-18-16(22(23)24)17(19)21-6-4-20(5-7-21)11-13-2-3-14-15(10-13)26-9-8-25-14/h2-3,10,12H,4-9,11H2,1H3