(4S)-2-phenyl-4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-2-phenyl-4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-phenyl-4-(3-pyridylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: (4S)-2-phenyl-4-(3-pyridinylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-phenyl-4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-phenyl-4-(3-pyridylmethyliminomethyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C17H13F3N4O MolecularWeight: 346.30653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=N2)C(F)(F)F)C=NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)[C@H](C(=N2)C(F)(F)F)C=NCC3=CN=CC=C3

InChI

InChI=1S/C17H13F3N4O/c18-17(19,20)15-14(11-22-10-12-5-4-8-21-9-12)16(25)24(23-15)13-6-2-1-3-7-13/h1-9,11,14H,10H2/t14-/m0/s1