ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzoate

Systemtic Name: ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzoate Openeye Name: ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoate CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzoate Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoic acid ethyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-4-34-27(31)19-10-13-22(14-11-19)28-17-21-18-30(23-8-6-5-7-9-23)29-26(21)20-12-15-24(32-2)25(16-20)33-3/h5-18H,4H2,1-3H3