ethyl 5-(decanoylamino)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(decanoylamino)-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(decanoylamino)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(1-oxodecylamino)-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(decanoylamino)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(caprylamino)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCC(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-3-5-6-7-8-9-13-16-20(26)24-21-19(22(27)28-4-2)17-23-25(21)18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3,(H,24,26)