2-[2-[2-(azepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[2-[2-(azepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[2-[2-(azepan-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[2-[2-(1-azepanyl)ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[2-[2-(azepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[2-[2-(azepan-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC2=C(C=CC=N2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)CCNC2=C(C=CC=N2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C21H26N6O/c22-19(28)15-7-5-9-17-18(15)26-21(25-17)16-8-6-10-23-20(16)24-11-14-27-12-3-1-2-4-13-27/h5-10H,1-4,11-14H2,(H2,22,28)(H,23,24)(H,25,26)