N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

Systemtic Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine Openeye Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-(3-pyridylmethyl)cyclohexane-1,4-diamine CAS Name: N4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N4-(3-pyridinylmethyl)cyclohexane-1,4-diamine IUPAC Name: 4-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4,5-dimethoxy-2-nitro-benzyl)-(3-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=CN=CC=C2)C3CCC(CC3)N)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-28-20-10-16(19(25(26)27)11-21(20)29-2)14-24(13-15-4-3-9-23-12-15)18-7-5-17(22)6-8-18/h3-4,9-12,17-18H,5-8,13-14,22H2,1-2H3