N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-2-oxoethyl]-4-fluorobenzamide IUPAC Name: N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-keto-ethyl]-4-fluoro-benzamide Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O2/c1-14-19(15(2)26(25-14)18-6-4-3-5-7-18)12-23-20(27)13-24-21(28)16-8-10-17(22)11-9-16/h3-11H,12-13H2,1-2H3,(H,23,27)(H,24,28)