2-[pyridin-4-yl-(2-pyrrolidin-1-ylethanoylamino)methyl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[pyridin-4-yl-(2-pyrrolidin-1-ylethanoylamino)methyl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide Openeye Name: 2-[4-pyridyl-[(2-pyrrolidin-1-ylacetyl)amino]methyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide CAS Name: 2-[[[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-pyridin-4-ylmethyl]thio]-N-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[pyridin-4-yl-[(2-pyrrolidin-1-ylacetyl)amino]methyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide Traditional Name: 2-[[4-pyridyl-[(2-pyrrolidinoacetyl)amino]methyl]thio]-N-[4-(trifluoromethoxy)phenyl]nicotinamide Formula: C25H24F3N5O3S MolecularWeight: 531.54997

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(=O)NC(C2=CC=NC=C2)SC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CCN(C1)CC(=O)NC(C2=CC=NC=C2)SC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C25H24F3N5O3S/c26-25(27,28)36-19-7-5-18(6-8-19)31-22(35)20-4-3-11-30-24(20)37-23(17-9-12-29-13-10-17)32-21(34)16-33-14-1-2-15-33/h3-13,23H,1-2,14-16H2,(H,31,35)(H,32,34)