4-[4-(5-fluoranyl-1-benzofuran-7-yl)-2,3,6,7-tetrahydroazepin-1-yl]-1,2-diphenyl-butan-1-one

Systemtic Name: 4-[4-(5-fluoranyl-1-benzofuran-7-yl)-2,3,6,7-tetrahydroazepin-1-yl]-1,2-diphenyl-butan-1-one Openeye Name: 4-[4-(5-fluorobenzofuran-7-yl)-2,3,6,7-tetrahydroazepin-1-yl]-1,2-diphenyl-butan-1-one CAS Name: 4-[4-(5-fluoro-7-benzofuranyl)-2,3,6,7-tetrahydroazepin-1-yl]-1,2-diphenyl-1-butanone IUPAC Name: 4-[4-(5-fluoro-1-benzofuran-7-yl)-2,3,6,7-tetrahydroazepin-1-yl]-1,2-diphenylbutan-1-one Traditional Name: 4-[4-(5-fluorobenzofuran-7-yl)-2,3,6,7-tetrahydroazepin-1-yl]-1,2-diphenyl-butan-1-one Formula: C30H28FNO2 MolecularWeight: 453.547223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC(=C1)C2=C3C(=CC(=C2)F)C=CO3)CCC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC(=C1)C2=C3C(=CC(=C2)F)C=CO3)CCC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H28FNO2/c31-26-20-25-15-19-34-30(25)28(21-26)23-12-7-16-32(17-13-23)18-14-27(22-8-3-1-4-9-22)29(33)24-10-5-2-6-11-24/h1-6,8-12,15,19-21,27H,7,13-14,16-18H2