N-(3-ethynylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-(3-ethynylphenyl)-3-(3-fluorophenyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-(3-ethynylphenyl)-3-(3-fluorophenyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-(3-ethynylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-(3-ethynylphenyl)-3-(3-fluorophenyl)-2-isoxazoline-5-carboxamide Formula: C18H13FN2O2 MolecularWeight: 308.306423

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H13FN2O2/c1-2-12-5-3-8-15(9-12)20-18(22)17-11-16(21-23-17)13-6-4-7-14(19)10-13/h1,3-10,17H,11H2,(H,20,22)