N-(6-bromanyl-8-cyano-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)-2-ethyl-heptanamide

Systemtic Name: N-(6-bromanyl-8-cyano-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)-2-ethyl-heptanamide Openeye Name: N-(6-bromo-8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)-2-ethyl-heptanamide CAS Name: N-(6-bromo-8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)-2-ethylheptanamide IUPAC Name: N-(6-bromo-8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)-2-ethylheptanamide Traditional Name: N-(6-bromo-8-cyano-4-keto-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)-2-ethyl-enanthamide Formula: C22H24BrN5O2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(=O)NC1=NC(=O)N2C(=C(C(=C2Br)C3=CC=CC=C3)C#N)N1

Isomeric SMILES

CCCCCC(CC)C(=O)NC1=NC(=O)N2C(=C(C(=C2Br)C3=CC=CC=C3)C#N)N1

InChI

InChI=1S/C22H24BrN5O2/c1-3-5-7-10-14(4-2)20(29)26-21-25-19-16(13-24)17(15-11-8-6-9-12-15)18(23)28(19)22(30)27-21/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3,(H2,25,26,27,29,30)