N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-[(4-fluorophenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-[(4-fluorophenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-[(4-fluorophenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N4-[(4-fluorophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4,5-dimethoxy-2-nitro-benzyl)-(4-fluorobenzyl)amine Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN(CC2=CC=C(C=C2)F)C3CCC(CC3)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN(CC2=CC=C(C=C2)F)C3CCC(CC3)N)[N+](=O)[O-])OC

InChI

InChI=1S/C22H28FN3O4/c1-29-21-11-16(20(26(27)28)12-22(21)30-2)14-25(19-9-7-18(24)8-10-19)13-15-3-5-17(23)6-4-15/h3-6,11-12,18-19H,7-10,13-14,24H2,1-2H3