(4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]pyrazol-3-one Openeye Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylene]pyrazol-3-one CAS Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[[4-(1-pyrrolidinyl)phenyl]methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]pyrazol-3-one Traditional Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-(4-pyrrolidinobenzylidene)-2-pyrazolin-3-one Formula: C28H27N3O3 MolecularWeight: 453.53228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C2=CC3=CC=C(C=C3)N4CCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C\2=NN(C(=O)/C2=C\C3=CC=C(C=C3)N4CCCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N3O3/c1-33-25-15-12-21(19-26(25)34-2)27-24(28(32)31(29-27)23-8-4-3-5-9-23)18-20-10-13-22(14-11-20)30-16-6-7-17-30/h3-5,8-15,18-19H,6-7,16-17H2,1-2H3/b24-18-