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

Systemtic Name: (4E)-4-[[5-chloranyl-2-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[5-chloro-2-(3-phenoxypropoxy)phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[5-chloro-2-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[5-chloro-2-(3-phenoxypropoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[5-chloro-2-(3-phenoxypropoxy)benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O3/c1-19-24(26(30)29(28-19)22-9-4-2-5-10-22)18-20-17-21(27)13-14-25(20)32-16-8-15-31-23-11-6-3-7-12-23/h2-7,9-14,17-18H,8,15-16H2,1H3/b24-18+