N-(3-ethylpent-1-yn-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C17H20N4O MolecularWeight: 296.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC=C(C=C1)CN2C=NC=N2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC=C(C=C1)CN2C=NC=N2

InChI

InChI=1S/C17H20N4O/c1-4-17(5-2,6-3)20-16(22)15-9-7-14(8-10-15)11-21-13-18-12-19-21/h1,7-10,12-13H,5-6,11H2,2-3H3,(H,20,22)