ethyl 5-methyl-1-[3-(2-methylbutanoylamino)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-(2-methylbutanoylamino)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-(2-methylbutanoylamino)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[(2-methyl-1-oxobutyl)amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-(2-methylbutanoylamino)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[3-(2-methylbutanoylamino)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=CC(=C1)N2C(=C(C=N2)C(=O)OCC)C

Isomeric SMILES

CCC(C)C(=O)NC1=CC=CC(=C1)N2C(=C(C=N2)C(=O)OCC)C

InChI

InChI=1S/C18H23N3O3/c1-5-12(3)17(22)20-14-8-7-9-15(10-14)21-13(4)16(11-19-21)18(23)24-6-2/h7-12H,5-6H2,1-4H3,(H,20,22)