ethyl 5-(hexadecanoylamino)-3-oxidanylidene-2-phenyl-pyrazole-1-carboxylate

Systemtic Name: ethyl 5-(hexadecanoylamino)-3-oxidanylidene-2-phenyl-pyrazole-1-carboxylate Openeye Name: ethyl 5-(hexadecanoylamino)-3-oxo-2-phenyl-pyrazole-1-carboxylate CAS Name: 3-oxo-5-(1-oxohexadecylamino)-2-phenyl-1-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(hexadecanoylamino)-3-oxo-2-phenylpyrazole-1-carboxylate Traditional Name: 3-keto-5-palmitamido-2-phenyl-3-pyrazoline-1-carboxylic acid ethyl ester Formula: C28H43N3O4 MolecularWeight: 485.65872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC(=O)N(N1C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC(=O)N(N1C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C28H43N3O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-26(32)29-25-23-27(33)30(24-20-17-16-18-21-24)31(25)28(34)35-4-2/h16-18,20-21,23H,3-15,19,22H2,1-2H3,(H,29,32)