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

Systemtic Name: 2-[3-oxidanylidene-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[1-(4-isopropylphenyl)propylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(1-p-cumenylpropylamino)propyl]pyrazole-3-carboxylic acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-4-16(15-7-5-14(6-8-15)13(2)3)21-18(23)10-12-22-17(19(24)25)9-11-20-22/h5-9,11,13,16H,4,10,12H2,1-3H3,(H,21,23)(H,24,25)