N-(8-cyano-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)dodecanamide

Systemtic Name: N-(8-cyano-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)dodecanamide Openeye Name: N-(8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)dodecanamide CAS Name: N-(8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)dodecanamide IUPAC Name: N-(8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)dodecanamide Traditional Name: N-(8-cyano-4-keto-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)lauramide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2/c1-2-3-4-5-6-7-8-9-13-16-22(31)27-24-28-23-20(17-26)21(18-30(23)25(32)29-24)19-14-11-10-12-15-19/h10-12,14-15,18H,2-9,13,16H2,1H3,(H2,27,28,29,31,32)