N1,N1,N4,N4-tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pentane-1,4-diamine

Systemtic Name: N1,N1,N4,N4-tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pentane-1,4-diamine Openeye Name: N1,N1,N4,N4-tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pentane-1,4-diamine CAS Name: N1,N1,N4,N4-tetrakis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]pentane-1,4-diamine IUPAC Name: 1-N,1-N,4-N,4-N-tetrakis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pentane-1,4-diamine Traditional Name: [4-[bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amino]-1-methyl-butyl]-bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amine Formula: C29H42N14O8 MolecularWeight: 714.73278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN(CCCC(C)N(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(CCCC(C)N(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/C29H42N14O8/c1-21(35(11-15-38-24(4)32-19-28(38)42(48)49)12-16-39-25(5)33-20-29(39)43(50)51)7-6-8-34(9-13-36-22(2)30-17-26(36)40(44)45)10-14-37-23(3)31-18-27(37)41(46)47/h17-21H,6-16H2,1-5H3