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

Systemtic Name: (4E)-4-[[3-bromanyl-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[3-bromo-5-methoxy-4-(3-phenoxypropoxy)benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H25BrN2O4 MolecularWeight: 521.4024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrN2O4/c1-19-23(27(31)30(29-19)21-10-5-3-6-11-21)16-20-17-24(28)26(25(18-20)32-2)34-15-9-14-33-22-12-7-4-8-13-22/h3-8,10-13,16-18H,9,14-15H2,1-2H3/b23-16+