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

Systemtic Name: (4Z)-4-[[1-(4-oxidanylbutyl)indol-3-yl]methylidene]-3-pyridin-4-yl-1H-pyrazol-5-one Openeye Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-3-(4-pyridyl)-1H-pyrazol-5-one CAS Name: (4Z)-4-[[1-(4-hydroxybutyl)-3-indolyl]methylidene]-3-pyridin-4-yl-1H-pyrazol-5-one IUPAC Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylidene]-3-pyridin-4-yl-1H-pyrazol-5-one Traditional Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-5-(4-pyridyl)-2-pyrazolin-3-one Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCCO)C=C3C(=NNC3=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCCO)/C=C\3/C(=NNC3=O)C4=CC=NC=C4

InChI

InChI=1S/C21H20N4O2/c26-12-4-3-11-25-14-16(17-5-1-2-6-19(17)25)13-18-20(23-24-21(18)27)15-7-9-22-10-8-15/h1-2,5-10,13-14,26H,3-4,11-12H2,(H,24,27)/b18-13-