N-(8-cyano-4-oxidanylidene-7-phenyl-3-propanoyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)octanamide

Systemtic Name: N-(8-cyano-4-oxidanylidene-7-phenyl-3-propanoyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)octanamide Openeye Name: N-(8-cyano-4-oxo-7-phenyl-3-propanoyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)octanamide CAS Name: N-[8-cyano-4-oxo-3-(1-oxopropyl)-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl]octanamide IUPAC Name: N-(8-cyano-4-oxo-7-phenyl-3-propanoyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)octanamide Traditional Name: N-(8-cyano-4-keto-7-phenyl-3-propionyl-1H-pyrrolo[1,2-a]pyrimidin-2-yl)caprylamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C(=O)N2C=C(C(=C2N1)C#N)C3=CC=CC=C3)C(=O)CC

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C(=O)N2C=C(C(=C2N1)C#N)C3=CC=CC=C3)C(=O)CC

InChI

InChI=1S/C25H28N4O3/c1-3-5-6-7-11-14-21(31)27-23-22(20(30)4-2)25(32)29-16-19(17-12-9-8-10-13-17)18(15-26)24(29)28-23/h8-10,12-13,16,28H,3-7,11,14H2,1-2H3,(H,27,31)