N4-(7-chloranylquinolin-4-yl)-N1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]cyclohexane-1,4-diamine

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]cyclohexane-1,4-diamine Openeye Name: N4-(7-chloro-4-quinolyl)-N1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]cyclohexane-1,4-diamine CAS Name: N4-(7-chloro-4-quinolinyl)-N1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]cyclohexane-1,4-diamine Traditional Name: (7-chloro-4-quinolyl)-[4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]cyclohexyl]amine Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN6O2/c1-14-25-13-21(28(29)30)27(14)11-10-23-16-3-5-17(6-4-16)26-19-8-9-24-20-12-15(22)2-7-18(19)20/h2,7-9,12-13,16-17,23H,3-6,10-11H2,1H3,(H,24,26)