1-pyridin-4-ylethanone; 2-(3-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexene-1-carboxylic acid

Systemtic Name: 1-pyridin-4-ylethanone; 2-(3-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexene-1-carboxylic acid Openeye Name: 1-(4-pyridyl)ethanone; 2-[3-(4-pyridyl)-1H-pyrazol-5-yl]cyclohexene-1-carboxylic acid CAS Name: 1-pyridin-4-ylethanone; 2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1-cyclohexenecarboxylic acid IUPAC Name: 1-pyridin-4-ylethanone; 2-(3-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexene-1-carboxylic acid Traditional Name: 1-(4-pyridyl)ethanone; 2-[3-(4-pyridyl)-1H-pyrazol-5-yl]cyclohexene-1-carboxylic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=NC=C1.C1CCC(=C(C1)C2=CC(=NN2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=NC=C1.C1CCC(=C(C1)C2=CC(=NN2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C15H15N3O2.C7H7NO/c19-15(20)12-4-2-1-3-11(12)14-9-13(17-18-14)10-5-7-16-8-6-10;1-6(9)7-2-4-8-5-3-7/h5-9H,1-4H2,(H,17,18)(H,19,20);2-5H,1H3