2-[3-oxidanylidene-3-[1-(4-propan-2-ylphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[1-(4-propan-2-ylphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[1-(4-isopropylphenyl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)ethylamino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(1-p-cumenylethylamino)propyl]pyrazole-3-carboxylic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C18H23N3O3/c1-12(2)14-4-6-15(7-5-14)13(3)20-17(22)9-11-21-16(18(23)24)8-10-19-21/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,22)(H,23,24)