ethyl 5-aminocarbonyl-1-(4-butylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-1-(4-butylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-butylphenyl)-5-carbamoyl-pyrazole-4-carboxylate CAS Name: 1-(4-butylphenyl)-5-carbamoyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-butylphenyl)-5-carbamoylpyrazole-4-carboxylate Traditional Name: 1-(4-butylphenyl)-5-carbamoyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C(=O)N

InChI

InChI=1S/C17H21N3O3/c1-3-5-6-12-7-9-13(10-8-12)20-15(16(18)21)14(11-19-20)17(22)23-4-2/h7-11H,3-6H2,1-2H3,(H2,18,21)