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

Systemtic Name: [4-[[(3-phenoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[(3-phenoxyphenyl)methyl-(4-pyridylmethyl)amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(3-phenoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[(3-phenoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(3-phenoxybenzyl)-(4-pyridylmethyl)amine Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CN(CC2=CC=NC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN)CN(CC2=CC=NC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O/c28-18-22-9-11-23(12-10-22)19-30(20-24-13-15-29-16-14-24)21-25-5-4-8-27(17-25)31-26-6-2-1-3-7-26/h1-8,13-17,22-23H,9-12,18-21,28H2