5-(2,2-dimethyl-3-oxidanylidene-3-phenylazanyl-propyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 5-(2,2-dimethyl-3-oxidanylidene-3-phenylazanyl-propyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 5-(3-anilino-2,2-dimethyl-3-oxo-propyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(3-anilino-2,2-dimethyl-3-oxopropyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 5-(3-anilino-2,2-dimethyl-3-oxopropyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(3-anilino-3-keto-2,2-dimethyl-propyl)-1-phenyl-pyrazole-4-carboxylate Formula: C21H20N3O3- MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C=NN1C2=CC=CC=C2)C(=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(CC1=C(C=NN1C2=CC=CC=C2)C(=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-21(2,20(27)23-15-9-5-3-6-10-15)13-18-17(19(25)26)14-22-24(18)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,23,27)(H,25,26)/p-1