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

Systemtic Name: (4Z)-4-[[1-(4-oxidanylbutyl)indol-3-yl]methylidene]-3-(1-phenylethyl)-1H-pyrazol-5-one Openeye Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-3-(1-phenylethyl)-1H-pyrazol-5-one CAS Name: (4Z)-4-[[1-(4-hydroxybutyl)-3-indolyl]methylidene]-3-(1-phenylethyl)-1H-pyrazol-5-one IUPAC Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylidene]-3-(1-phenylethyl)-1H-pyrazol-5-one Traditional Name: (4Z)-4-[[1-(4-hydroxybutyl)indol-3-yl]methylene]-5-(1-phenylethyl)-2-pyrazolin-3-one Formula: C24H25N3O2 MolecularWeight: 387.4742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2/c1-17(18-9-3-2-4-10-18)23-21(24(29)26-25-23)15-19-16-27(13-7-8-14-28)22-12-6-5-11-20(19)22/h2-6,9-12,15-17,28H,7-8,13-14H2,1H3,(H,26,29)/b21-15-