1-[4-[3-(azepan-1-yl)propoxy]phenyl]-5-fluoranyl-2-pyridin-2-yl-benzimidazole

Systemtic Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-5-fluoranyl-2-pyridin-2-yl-benzimidazole Openeye Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-5-fluoro-2-(2-pyridyl)benzimidazole CAS Name: 1-[4-[3-(1-azepanyl)propoxy]phenyl]-5-fluoro-2-(2-pyridinyl)benzimidazole IUPAC Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-5-fluoro-2-pyridin-2-ylbenzimidazole Traditional Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-5-fluoro-2-(2-pyridyl)benzimidazole Formula: C27H29FN4O MolecularWeight: 444.543763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=C(C=C2)N3C4=C(C=C(C=C4)F)N=C3C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=C(C=C2)N3C4=C(C=C(C=C4)F)N=C3C5=CC=CC=N5

InChI

InChI=1S/C27H29FN4O/c28-21-9-14-26-25(20-21)30-27(24-8-3-4-15-29-24)32(26)22-10-12-23(13-11-22)33-19-7-18-31-16-5-1-2-6-17-31/h3-4,8-15,20H,1-2,5-7,16-19H2