(4E)-5-methyl-4-[[2-(3-phenoxypropoxy)phenyl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[[2-(3-phenoxypropoxy)phenyl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[2-(3-phenoxypropoxy)phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[2-(3-phenoxypropoxy)phenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[2-(3-phenoxypropoxy)phenyl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[2-(3-phenoxypropoxy)benzylidene]-2-phenyl-2-pyrazolin-3-one Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2OCCCOC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OCCCOC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-20-24(26(29)28(27-20)22-12-4-2-5-13-22)19-21-11-8-9-16-25(21)31-18-10-17-30-23-14-6-3-7-15-23/h2-9,11-16,19H,10,17-18H2,1H3/b24-19+