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

Systemtic Name: N4-[(3-bromanyl-4-methoxy-phenyl)methyl]-N4-[(3-phenoxyphenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(3-bromo-4-methoxy-phenyl)methyl]-N4-[(3-phenoxyphenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(3-bromo-4-methoxyphenyl)methyl]-N4-[(3-phenoxyphenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(3-bromo-4-methoxyphenyl)methyl]-4-N-[(3-phenoxyphenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(3-bromo-4-methoxy-benzyl)-(3-phenoxybenzyl)amine Formula: C27H31BrN2O2 MolecularWeight: 495.45124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC(=CC=C2)OC3=CC=CC=C3)C4CCC(CC4)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC(=CC=C2)OC3=CC=CC=C3)C4CCC(CC4)N)Br

InChI

InChI=1S/C27H31BrN2O2/c1-31-27-15-10-21(17-26(27)28)19-30(23-13-11-22(29)12-14-23)18-20-6-5-9-25(16-20)32-24-7-3-2-4-8-24/h2-10,15-17,22-23H,11-14,18-19,29H2,1H3