methyl 2-[(4-fluorophenyl)amino]-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)amino]-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxylate Openeye Name: methyl 2-(4-fluoroanilino)-1-(3-morpholinopropyl)benzimidazole-5-carboxylate CAS Name: 2-(4-fluoroanilino)-1-[3-(4-morpholinyl)propyl]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxylate Traditional Name: 2-(4-fluoroanilino)-1-(3-morpholinopropyl)benzimidazole-5-carboxylic acid methyl ester Formula: C22H25FN4O3 MolecularWeight: 412.457303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)NC3=CC=C(C=C3)F)CCCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)NC3=CC=C(C=C3)F)CCCN4CCOCC4

InChI

InChI=1S/C22H25FN4O3/c1-29-21(28)16-3-8-20-19(15-16)25-22(24-18-6-4-17(23)5-7-18)27(20)10-2-9-26-11-13-30-14-12-26/h3-8,15H,2,9-14H2,1H3,(H,24,25)