N-[(1S)-2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(1S)-2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-1H-pyrazole-5-carboxamide Openeye Name: N-[(1S)-2-(2,6-dimethylanilino)-2-oxo-1-phenyl-ethyl]-1H-pyrazole-5-carboxamide CAS Name: N-[(1S)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1H-pyrazole-5-carboxamide IUPAC Name: N-[(1S)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1H-pyrazole-5-carboxamide Traditional Name: N-[(1S)-2-(2,6-dimethylanilino)-2-keto-1-phenyl-ethyl]-1H-pyrazole-5-carboxamide Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=NN3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C2=CC=CC=C2)NC(=O)C3=CC=NN3

InChI

InChI=1S/C20H20N4O2/c1-13-7-6-8-14(2)17(13)22-20(26)18(15-9-4-3-5-10-15)23-19(25)16-11-12-21-24-16/h3-12,18H,1-2H3,(H,21,24)(H,22,26)(H,23,25)/t18-/m0/s1