heptyl 4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: heptyl 4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: heptyl 4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester IUPAC Name: heptyl 4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester Formula: C25H28BrN3O2 MolecularWeight: 482.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrN3O2/c1-3-4-5-6-9-15-31-24(30)22-17(2)27-25-28-20-13-7-8-14-21(20)29(25)23(22)18-11-10-12-19(26)16-18/h7-8,10-14,16,23H,3-6,9,15H2,1-2H3,(H,27,28)