ethyl 4-(2,4-dichlorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dichlorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(2,4-dichlorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(2,4-dichlorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dichlorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(2,4-dichlorophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C22H21Cl2N3O2 MolecularWeight: 430.32704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=C(C=C4)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=C(C=C4)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C22H21Cl2N3O2/c1-3-7-17-19(21(28)29-4-2)20(14-11-10-13(23)12-15(14)24)27-18-9-6-5-8-16(18)25-22(27)26-17/h5-6,8-12,20H,3-4,7H2,1-2H3,(H,25,26)