ethyl 4-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-acetamido-3-ethyl-2-(2-fluorophenyl)-4-benzimidazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazole-4-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=C2C(=O)N3CCN(CC3)C(=O)OCC)NC(=O)C)N=C1C4=CC=CC=C4F

Isomeric SMILES

CCN1C2=C(C=C(C=C2C(=O)N3CCN(CC3)C(=O)OCC)NC(=O)C)N=C1C4=CC=CC=C4F

InChI

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