2-pyridin-4-ylethanamine; 2-(2-pyridin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 2-pyridin-4-ylethanamine; 2-(2-pyridin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 2-(4-pyridyl)ethanamine; 2-[2-(4-pyridyl)ethylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 2-pyridin-4-ylethanamine; 2-(2-pyridin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 2-pyridin-4-ylethanamine; 2-(2-pyridin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 2-(4-pyridyl)ethylamine; 2-[2-(4-pyridyl)ethylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C28H28F3N5O MolecularWeight: 507.55003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NCCC3=CC=NC=C3.C1=CN=CC=C1CCN

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NCCC3=CC=NC=C3.C1=CN=CC=C1CCN

InChI

InChI=1S/C21H18F3N3O.C7H10N2/c22-21(23,24)16-4-3-5-17(14-16)27-20(28)18-6-1-2-7-19(18)26-13-10-15-8-11-25-12-9-15;8-4-1-7-2-5-9-6-3-7/h1-9,11-12,14,26H,10,13H2,(H,27,28);2-3,5-6H,1,4,8H2