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

Systemtic Name: 2-[2-[3-(azepan-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[2-[3-(azepan-1-yl)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[2-[3-(1-azepanyl)propylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[2-[3-(azepan-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[2-[3-(azepan-1-yl)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC2=C(C=CC=N2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)CCCNC2=C(C=CC=N2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C22H28N6O/c23-20(29)16-8-5-10-18-19(16)27-22(26-18)17-9-6-11-24-21(17)25-12-7-15-28-13-3-1-2-4-14-28/h5-6,8-11H,1-4,7,12-15H2,(H2,23,29)(H,24,25)(H,26,27)