ethyl 1-[4-(cyclobutylcarbamoyl)phenyl]-5-(2,4-dichlorophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(cyclobutylcarbamoyl)phenyl]-5-(2,4-dichlorophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(cyclobutylcarbamoyl)phenyl]-5-(2,4-dichlorophenyl)pyrazole-3-carboxylate CAS Name: 1-[4-[(cyclobutylamino)-oxomethyl]phenyl]-5-(2,4-dichlorophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(cyclobutylcarbamoyl)phenyl]-5-(2,4-dichlorophenyl)pyrazole-3-carboxylate Traditional Name: 1-[4-(cyclobutylcarbamoyl)phenyl]-5-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C23H21Cl2N3O3 MolecularWeight: 458.33714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)NC4CCC4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)NC4CCC4

InChI

InChI=1S/C23H21Cl2N3O3/c1-2-31-23(30)20-13-21(18-11-8-15(24)12-19(18)25)28(27-20)17-9-6-14(7-10-17)22(29)26-16-4-3-5-16/h6-13,16H,2-5H2,1H3,(H,26,29)