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

Systemtic Name: (4Z)-3-methyl-4-[[1-(4-oxidanylbutyl)indol-3-yl]methylidene]-1H-pyrazol-5-one Openeye Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-3-methyl-1H-pyrazol-5-one CAS Name: (4Z)-4-[[1-(4-hydroxybutyl)-3-indolyl]methylidene]-3-methyl-1H-pyrazol-5-one IUPAC Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylidene]-3-methyl-1H-pyrazol-5-one Traditional Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-5-methyl-2-pyrazolin-3-one Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1=CC2=CN(C3=CC=CC=C32)CCCCO

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c1-12-15(17(22)19-18-12)10-13-11-20(8-4-5-9-21)16-7-3-2-6-14(13)16/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3,(H,19,22)/b15-10-