2-[6-(4-tert-butyl-1,4-diazepan-1-yl)pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[6-(4-tert-butyl-1,4-diazepan-1-yl)pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-(4-tert-butyl-1,4-diazepan-1-yl)-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-(4-tert-butyl-1,4-diazepan-1-yl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-(4-tert-butyl-1,4-diazepan-1-yl)pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-(4-tert-butyl-1,4-diazepan-1-yl)-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCCN(CC1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CC(C)(C)N1CCCN(CC1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C22H28N6O/c1-22(2,3)28-11-5-10-27(12-13-28)18-9-8-15(14-24-18)21-25-17-7-4-6-16(20(23)29)19(17)26-21/h4,6-9,14H,5,10-13H2,1-3H3,(H2,23,29)(H,25,26)