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

Systemtic Name: N4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N4-[(2-chloro-6-fluoro-phenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(2-chloro-6-fluorophenyl)methyl]-N4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4-benzoxy-3-methoxy-benzyl)-(2-chloro-6-fluoro-benzyl)amine Formula: C28H32ClFN2O2 MolecularWeight: 483.017283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CC2=C(C=CC=C2Cl)F)C3CCC(CC3)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CC2=C(C=CC=C2Cl)F)C3CCC(CC3)N)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32ClFN2O2/c1-33-28-16-21(10-15-27(28)34-19-20-6-3-2-4-7-20)17-32(23-13-11-22(31)12-14-23)18-24-25(29)8-5-9-26(24)30/h2-10,15-16,22-23H,11-14,17-19,31H2,1H3