4-[[4-[(4-methoxy-3-nitro-phenyl)methyl-[(3-methylphenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine

Systemtic Name: 4-[[4-[(4-methoxy-3-nitro-phenyl)methyl-[(3-methylphenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: 4-[[4-[(4-methoxy-3-nitro-phenyl)methyl-(m-tolylmethyl)amino]cyclohexyl]methyl]cyclohexanamine CAS Name: 4-[[4-[(4-methoxy-3-nitrophenyl)methyl-[(3-methylphenyl)methyl]amino]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: 4-[[4-[(4-methoxy-3-nitrophenyl)methyl-[(3-methylphenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(4-methoxy-3-nitro-benzyl)-(3-methylbenzyl)amine Formula: C29H41N3O3 MolecularWeight: 479.65414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3CCC(CC3)CC4CCC(CC4)N

Isomeric SMILES

CC1=CC(=CC=C1)CN(CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3CCC(CC3)CC4CCC(CC4)N

InChI

InChI=1S/C29H41N3O3/c1-21-4-3-5-24(16-21)19-31(20-25-10-15-29(35-2)28(18-25)32(33)34)27-13-8-23(9-14-27)17-22-6-11-26(30)12-7-22/h3-5,10,15-16,18,22-23,26-27H,6-9,11-14,17,19-20,30H2,1-2H3