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

Systemtic Name: (phenylmethyl) 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: benzyl 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid benzyl ester Formula: C25H20BrN3O2 MolecularWeight: 474.3492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)Br)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)Br)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H20BrN3O2/c1-16-22(24(30)31-15-17-7-3-2-4-8-17)23(18-11-13-19(26)14-12-18)29-21-10-6-5-9-20(21)28-25(29)27-16/h2-14,23H,15H2,1H3,(H,27,28)