ethyl 3-[5-[(Z)-2-(5-azanyl-4-cyano-2-phenyl-pyrazol-3-yl)-2-cyano-ethenyl]furan-2-yl]benzoate

Systemtic Name: ethyl 3-[5-[(Z)-2-(5-azanyl-4-cyano-2-phenyl-pyrazol-3-yl)-2-cyano-ethenyl]furan-2-yl]benzoate Openeye Name: ethyl 3-[5-[(Z)-2-(5-amino-4-cyano-2-phenyl-pyrazol-3-yl)-2-cyano-vinyl]-2-furyl]benzoate CAS Name: 3-[5-[(Z)-2-(5-amino-4-cyano-2-phenyl-3-pyrazolyl)-2-cyanoethenyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[5-[(Z)-2-(5-amino-4-cyano-2-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(Z)-2-(5-amino-4-cyano-2-phenyl-pyrazol-3-yl)-2-cyano-vinyl]-2-furyl]benzoic acid ethyl ester Formula: C26H19N5O3 MolecularWeight: 449.46076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C(C#N)C3=C(C(=NN3C4=CC=CC=C4)N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)/C=C(\C#N)/C3=C(C(=NN3C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C26H19N5O3/c1-2-33-26(32)18-8-6-7-17(13-18)23-12-11-21(34-23)14-19(15-27)24-22(16-28)25(29)30-31(24)20-9-4-3-5-10-20/h3-14H,2H2,1H3,(H2,29,30)/b19-14+