N4-[(3-chlorophenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(3-chlorophenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(3-chlorophenyl)methyl]-N4-[(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(3-chlorophenyl)methyl]-N4-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(3-chlorophenyl)methyl]-4-N-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(3-chlorobenzyl)-(4-methoxy-3-nitro-benzyl)amine Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3/c1-28-21-10-5-16(12-20(21)25(26)27)14-24(19-8-6-18(23)7-9-19)13-15-3-2-4-17(22)11-15/h2-5,10-12,18-19H,6-9,13-14,23H2,1H3