1-pyridin-2-ylethanone; 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)cyclohexene-1-carboxylic acid

Systemtic Name: 1-pyridin-2-ylethanone; 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)cyclohexene-1-carboxylic acid Openeye Name: 1-(2-pyridyl)ethanone; 2-[5-(2-pyridyl)-1H-pyrazol-3-yl]cyclohexene-1-carboxylic acid CAS Name: 1-(2-pyridinyl)ethanone; 2-[5-(2-pyridinyl)-1H-pyrazol-3-yl]-1-cyclohexenecarboxylic acid IUPAC Name: 1-pyridin-2-ylethanone; 2-(5-pyridin-2-yl-1H-pyrazol-3-yl)cyclohexene-1-carboxylic acid Traditional Name: 1-(2-pyridyl)ethanone; 2-[5-(2-pyridyl)-1H-pyrazol-3-yl]cyclohexene-1-carboxylic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=N1.C1CCC(=C(C1)C2=NNC(=C2)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=CC=N1.C1CCC(=C(C1)C2=NNC(=C2)C3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C15H15N3O2.C7H7NO/c19-15(20)11-6-2-1-5-10(11)13-9-14(18-17-13)12-7-3-4-8-16-12;1-6(9)7-4-2-3-5-8-7/h3-4,7-9H,1-2,5-6H2,(H,17,18)(H,19,20);2-5H,1H3