N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-(pyridin-4-ylmethyl)cyclohexane-1,4-diamine

Systemtic Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-(pyridin-4-ylmethyl)cyclohexane-1,4-diamine Openeye Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-(4-pyridylmethyl)cyclohexane-1,4-diamine CAS Name: N4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N4-(pyridin-4-ylmethyl)cyclohexane-1,4-diamine IUPAC Name: 4-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4,5-dimethoxy-2-nitro-benzyl)-(4-pyridylmethyl)amine Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN(CC2=CC=NC=C2)C3CCC(CC3)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN(CC2=CC=NC=C2)C3CCC(CC3)N)[N+](=O)[O-])OC

InChI

InChI=1S/C21H28N4O4/c1-28-20-11-16(19(25(26)27)12-21(20)29-2)14-24(13-15-7-9-23-10-8-15)18-5-3-17(22)4-6-18/h7-12,17-18H,3-6,13-14,22H2,1-2H3