N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]but-2-ynamide

Systemtic Name: N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]but-2-ynamide Openeye Name: N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]but-2-ynamide CAS Name: N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2-butynamide IUPAC Name: N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]but-2-ynamide Traditional Name: N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]but-2-ynamide Formula: C15H16N4O MolecularWeight: 268.31374

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC(CCN1C=NC=N1)C2=CC=CC=C2

Isomeric SMILES

CC#CC(=O)NC(CCN1C=NC=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H16N4O/c1-2-6-15(20)18-14(13-7-4-3-5-8-13)9-10-19-12-16-11-17-19/h3-5,7-8,11-12,14H,9-10H2,1H3,(H,18,20)