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

Systemtic Name: 2-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[1-(4-tert-butylphenyl)ethylamino]-3-keto-propyl]pyrazole-3-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)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

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

InChI

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