1-cyclohexyl-4-[5-(6-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-(6-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-(6-fluorobenzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-(2-pyridyl)butan-1-one CAS Name: 1-cyclohexyl-4-[5-(6-fluoro-7-benzofuranyl)-2,3,4,7-tetrahydroazepin-1-yl]-2-(2-pyridinyl)-1-butanone IUPAC Name: 1-cyclohexyl-4-[5-(6-fluoro-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-pyridin-2-ylbutan-1-one Traditional Name: 1-cyclohexyl-4-[5-(6-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=C(C=CC4=C3OC=C4)F)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CCCC(=CC2)C3=C(C=CC4=C3OC=C4)F)C5=CC=CC=N5

InChI

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