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

Systemtic Name: (4Z)-4-[[1-(4-oxidanylbutyl)indol-3-yl]methylidene]-1H-pyrazol-5-one Openeye Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-1H-pyrazol-5-one CAS Name: (4Z)-4-[[1-(4-hydroxybutyl)-3-indolyl]methylidene]-1H-pyrazol-5-one IUPAC Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylidene]-1H-pyrazol-5-one Traditional Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-2-pyrazolin-3-one Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCCO)C=C3C=NNC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCCO)/C=C\3/C=NNC3=O

InChI

InChI=1S/C16H17N3O2/c20-8-4-3-7-19-11-13(9-12-10-17-18-16(12)21)14-5-1-2-6-15(14)19/h1-2,5-6,9-11,20H,3-4,7-8H2,(H,18,21)/b12-9-