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

Systemtic Name: ethyl 5-methyl-1-[4-(3-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(1,2-dimethylpropylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[(3-methylbutan-2-ylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(3-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(1,2-dimethylpropylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)C(C)C)C

InChI

InChI=1S/C19H25N3O3/c1-6-25-19(24)17-11-20-22(14(17)5)16-9-7-15(8-10-16)18(23)21-13(4)12(2)3/h7-13H,6H2,1-5H3,(H,21,23)