N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloranylpyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloranylpyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridyl)piperazine-1-carboxamide CAS Name: N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridyl)piperazine-1-carboxamide Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)NC(=O)N3CCN(CC3)C4=C(C=CC=N4)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)NC(=O)N3CCN(CC3)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C21H25ClN6O/c1-21(2,3)14-6-7-16-17(13-14)25-19(24-16)26-20(29)28-11-9-27(10-12-28)18-15(22)5-4-8-23-18/h4-8,13H,9-12H2,1-3H3,(H2,24,25,26,29)