4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzoic acid

Systemtic Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzoic acid Openeye Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoic acid CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]benzoic acid IUPAC Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzoic acid Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H21N3O4/c1-31-22-13-10-18(14-23(22)32-2)24-19(16-28(27-24)21-6-4-3-5-7-21)15-26-20-11-8-17(9-12-20)25(29)30/h3-16H,1-2H3,(H,29,30)