(4-oxidanylidenecyclohexyl) 1-phenyl-5-(1-phenylpropyl)pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidenecyclohexyl) 1-phenyl-5-(1-phenylpropyl)pyrazole-4-carboxylate Openeye Name: (4-oxocyclohexyl) 1-phenyl-5-(1-phenylpropyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-5-(1-phenylpropyl)-4-pyrazolecarboxylic acid (4-oxocyclohexyl) ester IUPAC Name: (4-oxocyclohexyl) 1-phenyl-5-(1-phenylpropyl)pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-(1-phenylpropyl)pyrazole-4-carboxylic acid (4-ketocyclohexyl) ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=C(C=NN2C3=CC=CC=C3)C(=O)OC4CCC(=O)CC4

Isomeric SMILES

CCC(C1=CC=CC=C1)C2=C(C=NN2C3=CC=CC=C3)C(=O)OC4CCC(=O)CC4

InChI

InChI=1S/C25H26N2O3/c1-2-22(18-9-5-3-6-10-18)24-23(17-26-27(24)19-11-7-4-8-12-19)25(29)30-21-15-13-20(28)14-16-21/h3-12,17,21-22H,2,13-16H2,1H3