2-oxidanylidenepropyl 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: acetonyl 1-benzyl-3-phenyl-pyrazole-4-carboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1-benzyl-3-phenylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-phenyl-pyrazole-4-carboxylic acid acetonyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-15(23)14-25-20(24)18-13-22(12-16-8-4-2-5-9-16)21-19(18)17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3