1-cyclohexyl-4-[4-(4-fluoranyl-1-benzofuran-7-yl)azepan-1-yl]-2-pyridin-2-yl-butan-1-one

Systemtic Name: 1-cyclohexyl-4-[4-(4-fluoranyl-1-benzofuran-7-yl)azepan-1-yl]-2-pyridin-2-yl-butan-1-one Openeye Name: 1-cyclohexyl-4-[4-(4-fluorobenzofuran-7-yl)azepan-1-yl]-2-(2-pyridyl)butan-1-one CAS Name: 1-cyclohexyl-4-[4-(4-fluoro-7-benzofuranyl)-1-azepanyl]-2-(2-pyridinyl)-1-butanone IUPAC Name: 1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)azepan-1-yl]-2-pyridin-2-ylbutan-1-one Traditional Name: 1-cyclohexyl-4-[4-(4-fluorobenzofuran-7-yl)azepan-1-yl]-2-(2-pyridyl)butan-1-one Formula: C29H35FN2O2 MolecularWeight: 462.598803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CCN2CCCC(CC2)C3=C4C(=C(C=C3)F)C=CO4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CCCC(CC2)C3=C4C(=C(C=C3)F)C=CO4)C5=CC=CC=N5

InChI

InChI=1S/C29H35FN2O2/c30-26-12-11-23(29-24(26)15-20-34-29)21-9-6-17-32(18-13-21)19-14-25(27-10-4-5-16-31-27)28(33)22-7-2-1-3-8-22/h4-5,10-12,15-16,20-22,25H,1-3,6-9,13-14,17-19H2