1-cyclohexyl-4-[5-(5-fluoranyl-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-pyridin-2-yl-butan-1-one

Systemtic Name: 1-cyclohexyl-4-[5-(5-fluoranyl-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-pyridin-2-yl-butan-1-one Openeye Name: 1-cyclohexyl-4-[5-(5-fluorobenzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-(2-pyridyl)butan-1-one CAS Name: 1-cyclohexyl-4-[5-(5-fluoro-7-benzofuranyl)-2,3,4,7-tetrahydroazepin-1-yl]-2-(2-pyridinyl)-1-butanone IUPAC Name: 1-cyclohexyl-4-[5-(5-fluoro-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-pyridin-2-ylbutan-1-one Traditional Name: 1-cyclohexyl-4-[5-(5-fluorobenzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-(2-pyridyl)butan-1-one Formula: C29H33FN2O2 MolecularWeight: 460.582923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33FN2O2/c30-24-19-23-13-18-34-29(23)26(20-24)21-9-6-15-32(16-11-21)17-12-25(27-10-4-5-14-31-27)28(33)22-7-2-1-3-8-22/h4-5,10-11,13-14,18-20,22,25H,1-3,6-9,12,15-17H2