[4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine

Systemtic Name: [4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(4-nitrobenzyl)-(3-phenoxybenzyl)amine Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3/c29-18-22-9-11-23(12-10-22)19-30(20-24-13-15-26(16-14-24)31(32)33)21-25-5-4-8-28(17-25)34-27-6-2-1-3-7-27/h1-8,13-17,22-23H,9-12,18-21,29H2