heptyl 4-(5-bromanyl-2-fluoranyl-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: heptyl 4-(5-bromanyl-2-fluoranyl-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: heptyl 4-(5-bromo-2-fluoro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(5-bromo-2-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester IUPAC Name: heptyl 4-(5-bromo-2-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(5-bromo-2-fluoro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester Formula: C25H27BrFN3O2 MolecularWeight: 500.403183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=C(C=CC(=C4)Br)F)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=C(C=CC(=C4)Br)F)C

InChI

InChI=1S/C25H27BrFN3O2/c1-3-4-5-6-9-14-32-24(31)22-16(2)28-25-29-20-10-7-8-11-21(20)30(25)23(22)18-15-17(26)12-13-19(18)27/h7-8,10-13,15,23H,3-6,9,14H2,1-2H3,(H,28,29)