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

Systemtic Name: 1-cycloheptyl-4-[5-(5-fluoranyl-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-cycloheptyl-4-[5-(5-fluorobenzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-cycloheptyl-4-[5-(5-fluoro-7-benzofuranyl)-2,3,4,7-tetrahydroazepin-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-cycloheptyl-4-[5-(5-fluoro-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-cycloheptyl-4-[5-(5-fluorobenzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-phenyl-butan-1-one Formula: C31H36FNO2 MolecularWeight: 473.621443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)C(CCN2CCCC(=CC2)C3=C4C(=CC(=C3)F)C=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)C(=O)C(CCN2CCCC(=CC2)C3=C4C(=CC(=C3)F)C=CO4)C5=CC=CC=C5

InChI

InChI=1S/C31H36FNO2/c32-27-21-26-16-20-35-31(26)29(22-27)24-13-8-17-33(18-14-24)19-15-28(23-9-6-3-7-10-23)30(34)25-11-4-1-2-5-12-25/h3,6-7,9-10,14,16,20-22,25,28H,1-2,4-5,8,11-13,15,17-19H2