1-[(1R,2S)-2-ethynylcyclohexyl]-3-[4-(trifluoromethyl)pyridin-3-yl]urea

Systemtic Name: 1-[(1R,2S)-2-ethynylcyclohexyl]-3-[4-(trifluoromethyl)pyridin-3-yl]urea Openeye Name: 1-[(1R,2S)-2-ethynylcyclohexyl]-3-[4-(trifluoromethyl)-3-pyridyl]urea CAS Name: 1-[(1R,2S)-2-ethynylcyclohexyl]-3-[4-(trifluoromethyl)-3-pyridinyl]urea IUPAC Name: 1-[(1R,2S)-2-ethynylcyclohexyl]-3-[4-(trifluoromethyl)pyridin-3-yl]urea Traditional Name: 1-[(1R,2S)-2-ethynylcyclohexyl]-3-[4-(trifluoromethyl)-3-pyridyl]urea Formula: C15H16F3N3O MolecularWeight: 311.30225

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCCCC1NC(=O)NC2=C(C=CN=C2)C(F)(F)F

Isomeric SMILES

C#C[C@@H]1CCCC[C@H]1NC(=O)NC2=C(C=CN=C2)C(F)(F)F

InChI

InChI=1S/C15H16F3N3O/c1-2-10-5-3-4-6-12(10)20-14(22)21-13-9-19-8-7-11(13)15(16,17)18/h1,7-10,12H,3-6H2,(H2,20,21,22)/t10-,12-/m1/s1