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

Systemtic Name: ethyl 5-(4-chloranylbutanoylamino)-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(4-chlorobutanoylamino)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorobutanoylamino)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(4-chlorobutanoylamino)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3/c1-2-23-16(22)13-11-18-20(12-7-4-3-5-8-12)15(13)19-14(21)9-6-10-17/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,19,21)