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

Systemtic Name: ethyl 5-(octanoylamino)-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(octanoylamino)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(1-oxooctylamino)-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(octanoylamino)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(caprylylamino)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-3-5-6-7-11-14-18(24)22-19-17(20(25)26-4-2)15-21-23(19)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,22,24)