4-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl-(pyridin-4-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine

Systemtic Name: 4-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl-(pyridin-4-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: 4-[[4-[(3-bromo-4-methoxy-phenyl)methyl-(4-pyridylmethyl)amino]cyclohexyl]methyl]cyclohexanamine CAS Name: 4-[[4-[(3-bromo-4-methoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: 4-[[4-[(3-bromo-4-methoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(3-bromo-4-methoxy-benzyl)-(4-pyridylmethyl)amine Formula: C27H38BrN3O MolecularWeight: 500.51412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=NC=C2)C3CCC(CC3)CC4CCC(CC4)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=NC=C2)C3CCC(CC3)CC4CCC(CC4)N)Br

InChI

InChI=1S/C27H38BrN3O/c1-32-27-11-6-23(17-26(27)28)19-31(18-22-12-14-30-15-13-22)25-9-4-21(5-10-25)16-20-2-7-24(29)8-3-20/h6,11-15,17,20-21,24-25H,2-5,7-10,16,18-19,29H2,1H3