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

Systemtic Name: N4-[(4-bromophenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(4-bromophenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(4-bromophenyl)methyl]-N4-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(4-bromophenyl)methyl]-4-N-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4-bromobenzyl)-(4-methoxy-3-nitro-benzyl)amine Formula: C21H26BrN3O3 MolecularWeight: 448.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O3/c1-28-21-11-4-16(12-20(21)25(26)27)14-24(19-9-7-18(23)8-10-19)13-15-2-5-17(22)6-3-15/h2-6,11-12,18-19H,7-10,13-14,23H2,1H3