tert-butyl 4-[2,6-bis(chloranyl)-3-(oxan-2-yl)benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,6-bis(chloranyl)-3-(oxan-2-yl)benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,6-dichloro-3-tetrahydropyran-2-yl-benzimidazol-5-yl)piperazine-1-carboxylate CAS Name: 4-[2,6-dichloro-3-(2-oxanyl)-5-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2,6-dichloro-3-(oxan-2-yl)benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-(2,6-dichloro-3-tetrahydropyran-2-yl-benzimidazol-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28Cl2N4O3 MolecularWeight: 455.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)Cl)C4CCCCO4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)Cl)C4CCCCO4)Cl

InChI

InChI=1S/C21H28Cl2N4O3/c1-21(2,3)30-20(28)26-9-7-25(8-10-26)16-13-17-15(12-14(16)22)24-19(23)27(17)18-6-4-5-11-29-18/h12-13,18H,4-11H2,1-3H3