4-[[4-[(4-bromophenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine

Systemtic Name: 4-[[4-[(4-bromophenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: 4-[[4-[(4-bromophenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]cyclohexyl]methyl]cyclohexanamine CAS Name: 4-[[4-[(4-bromophenyl)methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: 4-[[4-[(4-bromophenyl)methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(4-bromobenzyl)-(4-methoxy-3-nitro-benzyl)amine Formula: C28H38BrN3O3 MolecularWeight: 544.52362

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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)CC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)Br)C3CCC(CC3)CC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C28H38BrN3O3/c1-35-28-15-8-23(17-27(28)32(33)34)19-31(18-22-2-9-24(29)10-3-22)26-13-6-21(7-14-26)16-20-4-11-25(30)12-5-20/h2-3,8-10,15,17,20-21,25-26H,4-7,11-14,16,18-19,30H2,1H3