1-[1-[1-(4-tert-butylphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-[1-(4-tert-butylphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[1-(4-tert-butylphenyl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-[1-(4-tert-butylphenyl)ethylamino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-[1-(4-tert-butylphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[1-(4-tert-butylphenyl)ethylamino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-12(14-6-8-16(9-7-14)19(3,4)5)21-17(23)13(2)22-11-15(10-20-22)18(24)25/h6-13H,1-5H3,(H,21,23)(H,24,25)