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

Systemtic Name: (4E)-4-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[3-methoxy-4-(3-phenoxypropoxy)benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4/c1-20-24(27(30)29(28-20)22-10-5-3-6-11-22)18-21-14-15-25(26(19-21)31-2)33-17-9-16-32-23-12-7-4-8-13-23/h3-8,10-15,18-19H,9,16-17H2,1-2H3/b24-18+