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

Systemtic Name: (4Z)-4-[[1-(4-oxidanylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-3-(phenylmethyl)-1H-pyrazol-5-one Openeye Name: (4Z)-3-benzyl-4-[[1-(4-hydroxybutyl)pyrrolo[2,3-b]pyridin-3-yl]methylene]-1H-pyrazol-5-one CAS Name: (4Z)-4-[[1-(4-hydroxybutyl)-3-pyrrolo[2,3-b]pyridinyl]methylidene]-3-(phenylmethyl)-1H-pyrazol-5-one IUPAC Name: (4Z)-3-benzyl-4-[[1-(4-hydroxybutyl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-1H-pyrazol-5-one Traditional Name: (4Z)-5-benzyl-4-[[1-(4-hydroxybutyl)pyrrolo[2,3-b]pyridin-3-yl]methylene]-2-pyrazolin-3-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=O)C2=CC3=CN(C4=C3C=CC=N4)CCCCO

Isomeric SMILES

C1=CC=C(C=C1)CC\2=NNC(=O)/C2=C\C3=CN(C4=C3C=CC=N4)CCCCO

InChI

InChI=1S/C22H22N4O2/c27-12-5-4-11-26-15-17(18-9-6-10-23-21(18)26)14-19-20(24-25-22(19)28)13-16-7-2-1-3-8-16/h1-3,6-10,14-15,27H,4-5,11-13H2,(H,25,28)/b19-14-