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

Systemtic Name: ethyl 1-[3-(hexanoylamino)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-(hexanoylamino)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-(1-oxohexylamino)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(hexanoylamino)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-(caproylamino)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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