ethyl 4-[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[7-acetamido-1-ethyl-2-(2-fluorophenyl)-5-benzimidazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazole-5-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28FN5O4 MolecularWeight: 481.519323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2NC(=O)C)C(=O)N3CCN(CC3)C(=O)OCC)N=C1C4=CC=CC=C4F

Isomeric SMILES

CCN1C2=C(C=C(C=C2NC(=O)C)C(=O)N3CCN(CC3)C(=O)OCC)N=C1C4=CC=CC=C4F

InChI

InChI=1S/C25H28FN5O4/c1-4-31-22-20(27-16(3)32)14-17(15-21(22)28-23(31)18-8-6-7-9-19(18)26)24(33)29-10-12-30(13-11-29)25(34)35-5-2/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,27,32)