(4Z)-3-tert-butyl-4-[[1-(4-oxidanylbutyl)indol-3-yl]methylidene]-1H-pyrazol-5-one

Systemtic Name: (4Z)-3-tert-butyl-4-[[1-(4-oxidanylbutyl)indol-3-yl]methylidene]-1H-pyrazol-5-one Openeye Name: (4Z)-3-tert-butyl-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-1H-pyrazol-5-one CAS Name: (4Z)-3-tert-butyl-4-[[1-(4-hydroxybutyl)-3-indolyl]methylidene]-1H-pyrazol-5-one IUPAC Name: (4Z)-3-tert-butyl-4-[[1-(4-hydroxybutyl)indol-3-yl]methylidene]-1H-pyrazol-5-one Traditional Name: (4Z)-5-tert-butyl-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-2-pyrazolin-3-one Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=O)C1=CC2=CN(C3=CC=CC=C32)CCCCO

Isomeric SMILES

CC(C)(C)C\1=NNC(=O)/C1=C\C2=CN(C3=CC=CC=C32)CCCCO

InChI

InChI=1S/C20H25N3O2/c1-20(2,3)18-16(19(25)22-21-18)12-14-13-23(10-6-7-11-24)17-9-5-4-8-15(14)17/h4-5,8-9,12-13,24H,6-7,10-11H2,1-3H3,(H,22,25)/b16-12-