N-(4-carbamimidoylphenyl)-N'-[1-[4-(pyridin-4-ylmethoxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide

Systemtic Name: N-(4-carbamimidoylphenyl)-N'-[1-[4-(pyridin-4-ylmethoxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide Openeye Name: N-(4-carbamimidoylphenyl)-N'-[1-[4-(4-pyridylmethoxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide CAS Name: N-(4-carbamimidoylphenyl)-N'-[1-[4-(pyridin-4-ylmethoxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide IUPAC Name: N-(4-carbamimidoylphenyl)-N'-[1-[4-(pyridin-4-ylmethoxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide Traditional Name: N-(4-amidinophenyl)-N'-[1-[4-(4-pyridylmethoxy)-3-(trifluoromethyl)phenyl]ethyl]malonamide Formula: C25H24F3N5O3 MolecularWeight: 499.48497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2=CC=NC=C2)C(F)(F)F)NC(=O)CC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2=CC=NC=C2)C(F)(F)F)NC(=O)CC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H24F3N5O3/c1-15(32-22(34)13-23(35)33-19-5-2-17(3-6-19)24(29)30)18-4-7-21(20(12-18)25(26,27)28)36-14-16-8-10-31-11-9-16/h2-12,15H,13-14H2,1H3,(H3,29,30)(H,32,34)(H,33,35)