(4Z)-4-[[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2,5-diphenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: (4Z)-4-[[3-(4-butoxy-3-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: (4Z)-4-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2,5-diphenyl-2-pyrazolin-3-one Formula: C35H29ClN4O2 MolecularWeight: 573.08336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C35H29ClN4O2/c1-2-3-21-42-32-20-19-26(23-31(32)36)33-27(24-39(37-33)28-15-9-5-10-16-28)22-30-34(25-13-7-4-8-14-25)38-40(35(30)41)29-17-11-6-12-18-29/h4-20,22-24H,2-3,21H2,1H3/b30-22-