N,N'-bis(4-ethoxyphenyl)-2-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanediamide

Systemtic Name: N,N'-bis(4-ethoxyphenyl)-2-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanediamide Openeye Name: 2-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-N,N'-bis(4-ethoxyphenyl)propanediamide CAS Name: N,N'-bis(4-ethoxyphenyl)-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]propanediamide IUPAC Name: N,N'-bis(4-ethoxyphenyl)-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]propanediamide Traditional Name: 2-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-N,N'-bis(p-phenetyl)malonamide Formula: C39H38N4O5 MolecularWeight: 642.74282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)OCC

InChI

InChI=1S/C39H38N4O5/c1-5-23-48-36-22-13-28(24-27(36)4)37-29(26-43(42-37)32-11-9-8-10-12-32)25-35(38(44)40-30-14-18-33(19-15-30)46-6-2)39(45)41-31-16-20-34(21-17-31)47-7-3/h5,8-22,24-26H,1,6-7,23H2,2-4H3,(H,40,44)(H,41,45)