(2-oxidanylidenecyclohexyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidenecyclohexyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (2-oxocyclohexyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (2-ketocyclohexyl) ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3/c25-19-13-7-8-14-20(19)27-22(26)18-15-24(17-11-5-2-6-12-17)23-21(18)16-9-3-1-4-10-16/h1-6,9-12,15,20H,7-8,13-14H2