4,5-dicyclopropyl-1-(phenylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrazol-3-one

Systemtic Name: 4,5-dicyclopropyl-1-(phenylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrazol-3-one Openeye Name: 1-benzyl-4,5-dicyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-one CAS Name: 4,5-dicyclopropyl-1-(phenylmethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyrazolone IUPAC Name: 1-benzyl-4,5-dicyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-one Traditional Name: 1-benzyl-4,5-dicyclopropyl-2-[2-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C23H21F3N2O MolecularWeight: 398.42085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N(N(C2=O)C3=CC=CC=C3C(F)(F)F)CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CC1C2=C(N(N(C2=O)C3=CC=CC=C3C(F)(F)F)CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H21F3N2O/c24-23(25,26)18-8-4-5-9-19(18)28-22(29)20(16-10-11-16)21(17-12-13-17)27(28)14-15-6-2-1-3-7-15/h1-9,16-17H,10-14H2