N-(8-cyano-3-methanoyl-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamide

Systemtic Name: N-(8-cyano-3-methanoyl-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamide Openeye Name: N-(8-cyano-3-formyl-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)-2-[4-(1,1-dimethylpropyl)phenoxy]acetamide CAS Name: N-(8-cyano-3-formyl-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide IUPAC Name: N-(8-cyano-3-formyl-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide Traditional Name: 2-(4-tert-amylphenoxy)-N-(8-cyano-3-formyl-4-keto-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)acetamide Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C(=O)N3C=C(C(=C3N2)C#N)C4=CC=CC=C4)C=O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C(=O)N3C=C(C(=C3N2)C#N)C4=CC=CC=C4)C=O

InChI

InChI=1S/C28H26N4O4/c1-4-28(2,3)19-10-12-20(13-11-19)36-17-24(34)30-25-23(16-33)27(35)32-15-22(18-8-6-5-7-9-18)21(14-29)26(32)31-25/h5-13,15-16,31H,4,17H2,1-3H3,(H,30,34)