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

Systemtic Name: N-[8-cyano-2-(dodecanoylamino)-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-3-yl]dodecanamide Openeye Name: N-[8-cyano-2-(dodecanoylamino)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-3-yl]dodecanamide CAS Name: N-[8-cyano-4-oxo-2-(1-oxododecylamino)-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-3-yl]dodecanamide IUPAC Name: N-[8-cyano-2-(dodecanoylamino)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-3-yl]dodecanamide Traditional Name: N-[8-cyano-4-keto-2-(lauroylamino)-7-phenyl-1H-pyrrolo[1,2-a]pyrimidin-3-yl]lauramide Formula: C38H55N5O3 MolecularWeight: 629.875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(NC2=C(C(=CN2C1=O)C3=CC=CC=C3)C#N)NC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(NC2=C(C(=CN2C1=O)C3=CC=CC=C3)C#N)NC(=O)CCCCCCCCCCC

InChI

InChI=1S/C38H55N5O3/c1-3-5-7-9-11-13-15-17-22-26-33(44)40-35-36(41-34(45)27-23-18-16-14-12-10-8-6-4-2)42-37-31(28-39)32(29-43(37)38(35)46)30-24-20-19-21-25-30/h19-21,24-25,29,42H,3-18,22-23,26-27H2,1-2H3,(H,40,44)(H,41,45)