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

Systemtic Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-[(3-methylphenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-(m-tolylmethyl)cyclohexane-1,4-diamine CAS Name: N4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N4-[(3-methylphenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-N-[(3-methylphenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4,5-dimethoxy-2-nitro-benzyl)-(3-methylbenzyl)amine Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3CCC(CC3)N

Isomeric SMILES

CC1=CC(=CC=C1)CN(CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3CCC(CC3)N

InChI

InChI=1S/C23H31N3O4/c1-16-5-4-6-17(11-16)14-25(20-9-7-19(24)8-10-20)15-18-12-22(29-2)23(30-3)13-21(18)26(27)28/h4-6,11-13,19-20H,7-10,14-15,24H2,1-3H3