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

Systemtic Name: (4E)-5-methyl-4-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[4-(3-phenoxypropoxy)phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[4-(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=C(C=C2)OCCCOC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OCCCOC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-20-25(26(29)28(27-20)22-9-4-2-5-10-22)19-21-13-15-24(16-14-21)31-18-8-17-30-23-11-6-3-7-12-23/h2-7,9-16,19H,8,17-18H2,1H3/b25-19+