3-but-1-ynyl-2-methyl-N-pyridin-4-yl-benzamide

Systemtic Name: 3-but-1-ynyl-2-methyl-N-pyridin-4-yl-benzamide Openeye Name: 3-but-1-ynyl-2-methyl-N-(4-pyridyl)benzamide CAS Name: 3-but-1-ynyl-2-methyl-N-pyridin-4-ylbenzamide IUPAC Name: 3-but-1-ynyl-2-methyl-N-pyridin-4-ylbenzamide Traditional Name: 3-but-1-ynyl-2-methyl-N-(4-pyridyl)benzamide Formula: C17H16N2O MolecularWeight: 264.32174

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C(=CC=C1)C(=O)NC2=CC=NC=C2)C

Isomeric SMILES

CCC#CC1=C(C(=CC=C1)C(=O)NC2=CC=NC=C2)C

InChI

InChI=1S/C17H16N2O/c1-3-4-6-14-7-5-8-16(13(14)2)17(20)19-15-9-11-18-12-10-15/h5,7-12H,3H2,1-2H3,(H,18,19,20)