ethyl 5-[2-(3-chloranylphenoxy)propanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(3-chloranylphenoxy)propanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(3-chlorophenoxy)propanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-chlorophenoxy)propanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(3-chlorophenoxy)propanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-3-28-21(27)18-13-23-25(16-9-5-4-6-10-16)19(18)24-20(26)14(2)29-17-11-7-8-15(22)12-17/h4-14H,3H2,1-2H3,(H,24,26)