[4-[[(4,5-dimethoxy-2-nitro-phenyl)methyl-(phenylmethyl)amino]methyl]cyclohexyl]methanamine

Systemtic Name: [4-[[(4,5-dimethoxy-2-nitro-phenyl)methyl-(phenylmethyl)amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[benzyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(4,5-dimethoxy-2-nitrophenyl)methyl-(phenylmethyl)amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[benzyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-benzyl-(4,5-dimethoxy-2-nitro-benzyl)amine Formula: C24H33N3O4 MolecularWeight: 427.53652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN(CC2CCC(CC2)CN)CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN(CC2CCC(CC2)CN)CC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H33N3O4/c1-30-23-12-21(22(27(28)29)13-24(23)31-2)17-26(15-19-6-4-3-5-7-19)16-20-10-8-18(14-25)9-11-20/h3-7,12-13,18,20H,8-11,14-17,25H2,1-2H3