N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-ethynyl-aniline

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-ethynyl-aniline Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-3-ethynyl-aniline CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-ethynylaniline IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-ethynylaniline Traditional Name: (5-bromo-2-fluoro-benzyl)-(3-ethynylphenyl)amine Formula: C15H11BrFN MolecularWeight: 304.156943

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C15H11BrFN/c1-2-11-4-3-5-14(8-11)18-10-12-9-13(16)6-7-15(12)17/h1,3-9,18H,10H2