5-[2,2-dimethyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2,2-dimethyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[3-(benzylamino)-2,2-dimethyl-3-oxo-propyl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[2,2-dimethyl-3-oxo-3-[(phenylmethyl)amino]propyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[3-(benzylamino)-2,2-dimethyl-3-oxopropyl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[3-(benzylamino)-3-keto-2,2-dimethyl-propyl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C=NN1C2=CC=CC=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(CC1=C(C=NN1C2=CC=CC=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-22(2,21(28)23-14-16-9-5-3-6-10-16)13-19-18(20(26)27)15-24-25(19)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,23,28)(H,26,27)