ethyl 5-[1-(4-butan-2-ylphenyl)propylcarbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[1-(4-butan-2-ylphenyl)propylcarbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[1-(4-sec-butylphenyl)propylcarbamoyl]pyrazole-3-carboxylate CAS Name: 5-[[1-(4-butan-2-ylphenyl)propylamino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[1-(4-butan-2-ylphenyl)propylcarbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 2-methyl-5-[1-(4-sec-butylphenyl)propylcarbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C(=C2)C(=O)OCC)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C(=C2)C(=O)OCC)C

InChI

InChI=1S/C21H29N3O3/c1-6-14(4)15-9-11-16(12-10-15)17(7-2)22-20(25)18-13-19(24(5)23-18)21(26)27-8-3/h9-14,17H,6-8H2,1-5H3,(H,22,25)