N-(3-ethylpent-1-yn-3-yl)-2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[5-(p-tolyl)tetrazol-2-yl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[5-(4-methylphenyl)-2-tetrazolyl]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[5-(p-tolyl)tetrazol-2-yl]acetamide Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H21N5O/c1-5-17(6-2,7-3)18-15(23)12-22-20-16(19-21-22)14-10-8-13(4)9-11-14/h1,8-11H,6-7,12H2,2-4H3,(H,18,23)