ethyl 5-(4-methylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-methylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(2-oxoethylamino)phenyl]-5-(p-tolyl)pyrazole-3-carboxylate CAS Name: 5-(4-methylphenyl)-1-[4-(2-oxoethylamino)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-(2-ketoethylamino)phenyl]-5-(p-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)NCC=O

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)NCC=O

InChI

InChI=1S/C21H21N3O3/c1-3-27-21(26)19-14-20(16-6-4-15(2)5-7-16)24(23-19)18-10-8-17(9-11-18)22-12-13-25/h4-11,13-14,22H,3,12H2,1-2H3