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

Systemtic Name: prop-2-enyl 4-(3-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O2/c1-3-11-27-20(26)18-13(2)23-21-24-16-9-4-5-10-17(16)25(21)19(18)14-7-6-8-15(22)12-14/h3-10,12,19H,1,11H2,2H3,(H,23,24)