tert-butyl 4-[6-chloranyl-2-(pentan-3-ylamino)-1H-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(pentan-3-ylamino)-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(1-ethylpropylamino)-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(pentan-3-ylamino)-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(pentan-3-ylamino)-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-(1-ethylpropylamino)-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32ClN5O2 MolecularWeight: 421.96408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)NC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32ClN5O2/c1-6-14(7-2)23-19-24-16-12-15(22)18(13-17(16)25-19)26-8-10-27(11-9-26)20(28)29-21(3,4)5/h12-14H,6-11H2,1-5H3,(H2,23,24,25)