1-[4-azanyl-3-(2-phenylethynyl)phenyl]ethanone

Systemtic Name: 1-[4-azanyl-3-(2-phenylethynyl)phenyl]ethanone Openeye Name: 1-[4-amino-3-(2-phenylethynyl)phenyl]ethanone CAS Name: 1-[4-amino-3-(2-phenylethynyl)phenyl]ethanone IUPAC Name: 1-[4-amino-3-(2-phenylethynyl)phenyl]ethanone Traditional Name: 1-[4-amino-3-(2-phenylethynyl)phenyl]ethanone Formula: C16H13NO MolecularWeight: 235.28052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N)C#CC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H13NO/c1-12(18)14-9-10-16(17)15(11-14)8-7-13-5-3-2-4-6-13/h2-6,9-11H,17H2,1H3