(2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-ethyl-hexanamide

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-ethyl-hexanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-ethyl-hexanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-ethylhexanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylhexanamide Traditional Name: (2S)-2-ethyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)hexanamide Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C19H27N3O2/c1-5-7-11-15(6-2)18(23)20-17-14(3)21(4)22(19(17)24)16-12-9-8-10-13-16/h8-10,12-13,15H,5-7,11H2,1-4H3,(H,20,23)/t15-/m0/s1