2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]indene-1,3-dione Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]indane-1,3-dione CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]indene-1,3-dione IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]indene-1,3-dione Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]indane-1,3-quinone Formula: C27H20N2O4 MolecularWeight: 436.4587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H20N2O4/c1-32-23-13-12-17(15-24(23)33-2)25-18(16-29(28-25)19-8-4-3-5-9-19)14-22-26(30)20-10-6-7-11-21(20)27(22)31/h3-16H,1-2H3