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

Systemtic Name: N,N,N',N'-tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]octane-1,8-diamine Openeye Name: N,N,N',N'-tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]octane-1,8-diamine CAS Name: N,N,N',N'-tetrakis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]octane-1,8-diamine IUPAC Name: N,N,N',N'-tetrakis[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-bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amine Formula: C32H48N14O8 MolecularWeight: 756.81252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN(CCCCCCCCN(CCN2C(=NC=C2[N+](=O)[O-])C)CCN3C(=NC=C3[N+](=O)[O-])C)CCN4C(=NC=C4[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN(CCCCCCCCN(CCN2C(=NC=C2[N+](=O)[O-])C)CCN3C(=NC=C3[N+](=O)[O-])C)CCN4C(=NC=C4[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C32H48N14O8/c1-25-33-21-29(43(47)48)39(25)17-13-37(14-18-40-26(2)34-22-30(40)44(49)50)11-9-7-5-6-8-10-12-38(15-19-41-27(3)35-23-31(41)45(51)52)16-20-42-28(4)36-24-32(42)46(53)54/h21-24H,5-20H2,1-4H3