1-[5-(2-phenylethynyl)pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[5-(2-phenylethynyl)pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[5-(2-phenylethynyl)-3-pyridyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[5-(2-phenylethynyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[5-(2-phenylethynyl)pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[5-(2-phenylethynyl)-3-pyridyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C21H14F3N3O MolecularWeight: 381.35057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O/c22-21(23,24)17-7-4-8-18(12-17)26-20(28)27-19-11-16(13-25-14-19)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H2,26,27,28)