(2-oxidanylidenecyclohexyl) 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidenecyclohexyl) 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-oxocyclohexyl) 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (2-ketocyclohexyl) ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O3/c20-15-8-4-5-9-16(15)22-17(21)14-10-18-19(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,10,12,16H,4-5,8-9,11H2