ethyl 5-(3-methylbutanoylamino)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(3-methylbutanoylamino)-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(3-methylbutanoylamino)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(isovalerylamino)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CC(C)C

InChI

InChI=1S/C17H21N3O3/c1-4-23-17(22)14-11-18-20(13-8-6-5-7-9-13)16(14)19-15(21)10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,19,21)