bicyclo[3.2.1]octa-1(8),2,4-triene; 3-ethynyl-2-methyl-N-pyridin-4-yl-benzamide

Systemtic Name: bicyclo[3.2.1]octa-1(8),2,4-triene; 3-ethynyl-2-methyl-N-pyridin-4-yl-benzamide Openeye Name: bicyclo[3.2.1]octa-1(8),2,4-triene; 3-ethynyl-2-methyl-N-(4-pyridyl)benzamide CAS Name: bicyclo[3.2.1]octa-1(8),2,4-triene; 3-ethynyl-2-methyl-N-pyridin-4-ylbenzamide IUPAC Name: bicyclo[3.2.1]octa-1(8),2,4-triene; 3-ethynyl-2-methyl-N-pyridin-4-ylbenzamide Traditional Name: bicyclo[3.2.1]octa-1(8),2,4-triene; 3-ethynyl-2-methyl-N-(4-pyridyl)benzamide Formula: C23H20N2O MolecularWeight: 340.4177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)NC2=CC=NC=C2)C#C.C1CC2=CC=CC1=C2

Isomeric SMILES

CC1=C(C=CC=C1C(=O)NC2=CC=NC=C2)C#C.C1CC2=CC=CC1=C2

InChI

InChI=1S/C15H12N2O.C8H8/c1-3-12-5-4-6-14(11(12)2)15(18)17-13-7-9-16-10-8-13;1-2-7-4-5-8(3-1)6-7/h1,4-10H,2H3,(H,16,17,18);1-3,6H,4-5H2