N4-[(3-bromanyl-4-methoxy-phenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(3-bromanyl-4-methoxy-phenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(3-bromo-4-methoxy-phenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(3-bromo-4-methoxyphenyl)methyl]-N4-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(3-bromo-4-methoxyphenyl)methyl]-4-N-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(3-bromo-4-methoxy-benzyl)-(4-methoxy-3-nitro-benzyl)amine Formula: C22H28BrN3O4 MolecularWeight: 478.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O4/c1-29-21-9-3-15(11-19(21)23)13-25(18-7-5-17(24)6-8-18)14-16-4-10-22(30-2)20(12-16)26(27)28/h3-4,9-12,17-18H,5-8,13-14,24H2,1-2H3