tert-butyl 4-(2-azanyl-6-chloranyl-1H-benzimidazol-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-azanyl-6-chloranyl-1H-benzimidazol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-amino-6-chloro-1H-benzimidazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(2-amino-6-chloro-1H-benzimidazol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-amino-6-chloro-1H-benzimidazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-amino-6-chloro-1H-benzimidazol-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN5O2/c1-16(2,3)24-15(23)22-6-4-21(5-7-22)13-9-12-11(8-10(13)17)19-14(18)20-12/h8-9H,4-7H2,1-3H3,(H3,18,19,20)