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

Systemtic Name: ethyl 1-(2-methylphenyl)-5-[3-(2-methylpropanoylamino)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-[3-(2-methylpropanoylamino)phenyl]-1-(o-tolyl)pyrazole-3-carboxylate CAS Name: 5-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-(2-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylphenyl)-5-[3-(2-methylpropanoylamino)phenyl]pyrazole-3-carboxylate Traditional Name: 5-[3-(isobutyrylamino)phenyl]-1-(o-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C(C)C)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C(C)C)C3=CC=CC=C3C

InChI

InChI=1S/C23H25N3O3/c1-5-29-23(28)19-14-21(26(25-19)20-12-7-6-9-16(20)4)17-10-8-11-18(13-17)24-22(27)15(2)3/h6-15H,5H2,1-4H3,(H,24,27)