N-(3-imidazol-1-ylpropyl)-4-(2-phenylethynyl)benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-(2-phenylethynyl)benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-(2-phenylethynyl)benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-(2-phenylethynyl)benzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-(2-phenylethynyl)benzamide Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C21H19N3O/c25-21(23-13-4-15-24-16-14-22-17-24)20-11-9-19(10-12-20)8-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,14,16-17H,4,13,15H2,(H,23,25)