2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-prop-2-ynyl-ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-N-prop-2-ynyl-acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxo-N-prop-2-ynylacetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-prop-2-ynylacetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-N-propargyl-acetamide Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC#C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC#C

InChI

InChI=1S/C16H15N3O2/c1-4-10-17-16(21)15(20)14-11(2)18-19(12(14)3)13-8-6-5-7-9-13/h1,5-9H,10H2,2-3H3,(H,17,21)