1-[(5-oct-1-ynylpyridin-3-yl)carbonylamino]-3-[4-(trifluoromethyloxy)phenyl]urea

Systemtic Name: 1-[(5-oct-1-ynylpyridin-3-yl)carbonylamino]-3-[4-(trifluoromethyloxy)phenyl]urea Openeye Name: 1-[(5-oct-1-ynylpyridine-3-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea CAS Name: 1-[[(5-oct-1-ynyl-3-pyridinyl)-oxomethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea IUPAC Name: 1-[(5-oct-1-ynylpyridine-3-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea Traditional Name: 1-[(5-oct-1-ynylnicotinoyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea Formula: C22H23F3N4O3 MolecularWeight: 448.43823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCCCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C22H23F3N4O3/c1-2-3-4-5-6-7-8-16-13-17(15-26-14-16)20(30)28-29-21(31)27-18-9-11-19(12-10-18)32-22(23,24)25/h9-15H,2-6H2,1H3,(H,28,30)(H2,27,29,31)