5-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[3-(benzylamino)-3-oxo-propyl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[3-oxo-3-[(phenylmethyl)amino]propyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[3-(benzylamino)-3-oxopropyl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[3-(benzylamino)-3-keto-propyl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC2=C(C=NN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC2=C(C=NN2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19N3O3/c24-19(21-13-15-7-3-1-4-8-15)12-11-18-17(20(25)26)14-22-23(18)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,21,24)(H,25,26)