N-(3-ethylpent-1-yn-3-yl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1,1-diethylprop-2-ynyl)pyrazole-4-carboxamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diethylprop-2-ynyl)pyrazole-4-carboxamide Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O/c1-4-18(5-2,6-3)20-17(22)16-12-19-21(14-16)13-15-10-8-7-9-11-15/h1,7-12,14H,5-6,13H2,2-3H3,(H,20,22)