(4Z)-4-[[1-(4-oxidanylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one

Systemtic Name: (4Z)-4-[[1-(4-oxidanylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: (4Z)-4-[[1-(4-hydroxybutyl)pyrrolo[2,3-b]pyridin-3-yl]methylene]-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: (4Z)-4-[[1-(4-hydroxybutyl)-3-pyrrolo[2,3-b]pyridinyl]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: (4Z)-4-[[1-(4-hydroxybutyl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: (4Z)-4-[[1-(4-hydroxybutyl)pyrrolo[2,3-b]pyridin-3-yl]methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C16H15F3N4O2 MolecularWeight: 352.31111

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C=C2C=C3C(=NNC3=O)C(F)(F)F)CCCCO

Isomeric SMILES

C1=CC2=C(N=C1)N(C=C2/C=C\3/C(=NNC3=O)C(F)(F)F)CCCCO

InChI

InChI=1S/C16H15F3N4O2/c17-16(18,19)13-12(15(25)22-21-13)8-10-9-23(6-1-2-7-24)14-11(10)4-3-5-20-14/h3-5,8-9,24H,1-2,6-7H2,(H,22,25)/b12-8-