ethyl (5E)-4-oxidanylidene-2-phenylazanyl-5-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]furan-3-carboxylate

Systemtic Name: ethyl (5E)-4-oxidanylidene-2-phenylazanyl-5-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]furan-3-carboxylate Openeye Name: ethyl (5E)-2-anilino-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-oxo-furan-3-carboxylate CAS Name: (5E)-2-anilino-4-oxo-5-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-anilino-5-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-4-oxofuran-3-carboxylate Traditional Name: (5E)-2-anilino-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-keto-furan-3-carboxylic acid ethyl ester Formula: C29H24N4O4 MolecularWeight: 492.52526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C1=O)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(O/C(=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)/C1=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H24N4O4/c1-2-36-29(35)25-27(34)24(37-28(25)31-23-13-7-4-8-14-23)16-22-19-33(18-20-10-5-3-6-11-20)32-26(22)21-12-9-15-30-17-21/h3-17,19,31H,2,18H2,1H3/b24-16+