ethyl 5-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoyl)-3H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoyl)-3H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoyl)-3H-pyrazole-4-carboxylate CAS Name: 2-[anilino(oxo)methyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoyl)-3H-pyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C20H20ClN3O3 MolecularWeight: 385.8441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H20ClN3O3/c1-3-27-18(25)20(2)13-24(19(26)22-16-7-5-4-6-8-16)23-17(20)14-9-11-15(21)12-10-14/h4-12H,3,13H2,1-2H3,(H,22,26)