N-ethyl-N,N',N'-tris[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]octane-1,8-diamine

Systemtic Name: N-ethyl-N,N',N'-tris[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]octane-1,8-diamine Openeye Name: N-ethyl-N,N',N'-tris[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]octane-1,8-diamine CAS Name: N-ethyl-N,N',N'-tris[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]octane-1,8-diamine IUPAC Name: N-ethyl-N,N',N'-tris[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]octane-1,8-diamine Traditional Name: 8-[bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amino]octyl-ethyl-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amine Formula: C28H45N11O6 MolecularWeight: 631.727

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCCCCN(CCN1C(=NC=C1[N+](=O)[O-])C)CCN2C(=NC=C2[N+](=O)[O-])C)CCN3C(=NC=C3[N+](=O)[O-])C

Isomeric SMILES

CCN(CCCCCCCCN(CCN1C(=NC=C1[N+](=O)[O-])C)CCN2C(=NC=C2[N+](=O)[O-])C)CCN3C(=NC=C3[N+](=O)[O-])C

InChI

InChI=1S/C28H45N11O6/c1-5-32(14-17-34-23(2)29-20-26(34)37(40)41)12-10-8-6-7-9-11-13-33(15-18-35-24(3)30-21-27(35)38(42)43)16-19-36-25(4)31-22-28(36)39(44)45/h20-22H,5-19H2,1-4H3