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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C18H23N3O3/c1-3-4-14-5-7-15(8-6-14)13(2)20-17(22)10-12-21-16(18(23)24)9-11-19-21/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,20,22)(H,23,24)