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

Systemtic Name: [4-[[(4,5-dimethoxy-2-nitro-phenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[(4,5-dimethoxy-2-nitro-phenyl)methyl-(4-pyridylmethyl)amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(4,5-dimethoxy-2-nitrophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[(4,5-dimethoxy-2-nitrophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(4,5-dimethoxy-2-nitro-benzyl)-(4-pyridylmethyl)amine Formula: C23H32N4O4 MolecularWeight: 428.52458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O4/c1-30-22-11-20(21(27(28)29)12-23(22)31-2)16-26(15-19-7-9-25-10-8-19)14-18-5-3-17(13-24)4-6-18/h7-12,17-18H,3-6,13-16,24H2,1-2H3