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

Systemtic Name: tert-butyl 4-(cyclohexylcarbamoyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(cyclohexylcarbamoyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[(cyclohexylamino)-oxomethyl]-3-[[2-(2-methyl-1-benzimidazolyl)ethylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(cyclohexylcarbamoyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(cyclohexylcarbamoyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H40N6O4 MolecularWeight: 512.6443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCNC(=O)C3CN(CCN3C(=O)NC4CCCCC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCNC(=O)C3CN(CCN3C(=O)NC4CCCCC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H40N6O4/c1-19-29-21-12-8-9-13-22(21)32(19)15-14-28-24(34)23-18-31(26(36)37-27(2,3)4)16-17-33(23)25(35)30-20-10-6-5-7-11-20/h8-9,12-13,20,23H,5-7,10-11,14-18H2,1-4H3,(H,28,34)(H,30,35)