N4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(2-chloro-6-fluoro-phenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(2-chloro-6-fluorophenyl)methyl]-N4-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(2-chloro-6-fluoro-benzyl)-(4-methoxy-3-nitro-benzyl)amine Formula: C21H25ClFN3O3 MolecularWeight: 421.892903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=C(C=CC=C2Cl)F)C3CCC(CC3)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=C(C=CC=C2Cl)F)C3CCC(CC3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClFN3O3/c1-29-21-10-5-14(11-20(21)26(27)28)12-25(16-8-6-15(24)7-9-16)13-17-18(22)3-2-4-19(17)23/h2-5,10-11,15-16H,6-9,12-13,24H2,1H3