tert-butyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]-4-(methylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]-4-(methylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]-4-(methylcarbamoyl)piperazine-1-carboxylate CAS Name: 3-[[2-(2-methyl-1-benzimidazolyl)ethylamino]-oxomethyl]-4-(methylcarbamoyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]-4-(methylcarbamoyl)piperazine-1-carboxylate Traditional Name: 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]-4-(methylcarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32N6O4 MolecularWeight: 444.52728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCNC(=O)C3CN(CCN3C(=O)NC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCNC(=O)C3CN(CCN3C(=O)NC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N6O4/c1-15-25-16-8-6-7-9-17(16)27(15)11-10-24-19(29)18-14-26(21(31)32-22(2,3)4)12-13-28(18)20(30)23-5/h6-9,18H,10-14H2,1-5H3,(H,23,30)(H,24,29)