[4-[[(3-bromophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine

Systemtic Name: [4-[[(3-bromophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[(3-bromophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(3-bromophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[(3-bromophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(3-bromobenzyl)-(4-nitrobenzyl)amine Formula: C22H28BrN3O2 MolecularWeight: 446.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H28BrN3O2/c23-21-3-1-2-20(12-21)16-25(14-18-6-4-17(13-24)5-7-18)15-19-8-10-22(11-9-19)26(27)28/h1-3,8-12,17-18H,4-7,13-16,24H2