1-ethyl-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4-methyl-2,6-bis(oxidanylidene)pyridine-3-carbonitrile

Systemtic Name: 1-ethyl-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4-methyl-2,6-bis(oxidanylidene)pyridine-3-carbonitrile Openeye Name: 1-ethyl-5-[[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile CAS Name: 1-ethyl-5-[[3-(7-methoxy-2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-4-methyl-2,6-dioxo-3-pyridinecarbonitrile IUPAC Name: 1-ethyl-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile Traditional Name: 1-ethyl-2,6-diketo-5-[[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-4-methyl-nicotinonitrile Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CN(N=C2C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=CC=C5)C(=C(C1=O)C#N)C

Isomeric SMILES

CCN1C(=O)C(=CC2=CN(N=C2C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=CC=C5)C(=C(C1=O)C#N)C

InChI

InChI=1S/C28H22N4O4/c1-4-31-27(33)21(17(2)22(15-29)28(31)34)13-19-16-32(20-10-6-5-7-11-20)30-25(19)24-14-18-9-8-12-23(35-3)26(18)36-24/h5-14,16H,4H2,1-3H3