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

Systemtic Name: ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(1-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(pentan-2-ylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(1-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C

Isomeric SMILES

CCCC(C)NC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C

InChI

InChI=1S/C19H25N3O3/c1-5-7-13(3)21-18(23)15-8-10-16(11-9-15)22-14(4)17(12-20-22)19(24)25-6-2/h8-13H,5-7H2,1-4H3,(H,21,23)