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

Systemtic Name: (4Z)-4-[[1-(4-oxidanylbutyl)indol-3-yl]methylidene]-3-(phenylmethyl)-1H-pyrazol-5-one Openeye Name: (4Z)-3-benzyl-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-1H-pyrazol-5-one CAS Name: (4Z)-4-[[1-(4-hydroxybutyl)-3-indolyl]methylidene]-3-(phenylmethyl)-1H-pyrazol-5-one IUPAC Name: (4Z)-3-benzyl-4-[[1-(4-hydroxybutyl)indol-3-yl]methylidene]-1H-pyrazol-5-one Traditional Name: (4Z)-5-benzyl-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-2-pyrazolin-3-one Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=O)C2=CC3=CN(C4=CC=CC=C43)CCCCO

Isomeric SMILES

C1=CC=C(C=C1)CC\2=NNC(=O)/C2=C\C3=CN(C4=CC=CC=C43)CCCCO

InChI

InChI=1S/C23H23N3O2/c27-13-7-6-12-26-16-18(19-10-4-5-11-22(19)26)15-20-21(24-25-23(20)28)14-17-8-2-1-3-9-17/h1-5,8-11,15-16,27H,6-7,12-14H2,(H,25,28)/b20-15-