ethyl 1-[4-[(3-chlorophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-chlorophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(3-chlorophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(3-chloroanilino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-chlorophenyl)carbamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[(3-chlorophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H20ClN3O3/c1-4-28-21(27)19-13(2)24-25(14(19)3)18-10-8-15(9-11-18)20(26)23-17-7-5-6-16(22)12-17/h5-12H,4H2,1-3H3,(H,23,26)