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

Systemtic Name: heptyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: heptyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H28N4O4/c1-3-4-5-6-9-16-33-24(30)22-17(2)26-25-27-20-10-7-8-11-21(20)28(25)23(22)18-12-14-19(15-13-18)29(31)32/h7-8,10-15,23H,3-6,9,16H2,1-2H3,(H,26,27)