3-[[(3-ethynylphenyl)amino]methyl]-4-fluoranyl-benzamide

Systemtic Name: 3-[[(3-ethynylphenyl)amino]methyl]-4-fluoranyl-benzamide Openeye Name: 3-[(3-ethynylanilino)methyl]-4-fluoro-benzamide CAS Name: 3-[(3-ethynylanilino)methyl]-4-fluorobenzamide IUPAC Name: 3-[(3-ethynylanilino)methyl]-4-fluorobenzamide Traditional Name: 3-[(3-ethynylanilino)methyl]-4-fluoro-benzamide Formula: C16H13FN2O MolecularWeight: 268.285623

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=C(C=CC(=C2)C(=O)N)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=C(C=CC(=C2)C(=O)N)F

InChI

InChI=1S/C16H13FN2O/c1-2-11-4-3-5-14(8-11)19-10-13-9-12(16(18)20)6-7-15(13)17/h1,3-9,19H,10H2,(H2,18,20)