(4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one Openeye Name: (4E)-4-[[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]methylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one Traditional Name: (4E)-4-[[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(N=C2C3=CC=C(C=C3)OC(C)C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CN(N=C2C3=CC=C(C=C3)OC(C)C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O2/c1-20(2)35-26-16-14-22(15-17-26)28-23(19-32(31-28)24-10-6-4-7-11-24)18-27-21(3)30-33(29(27)34)25-12-8-5-9-13-25/h4-20H,1-3H3/b27-18+