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

Systemtic Name: 1-cycloheptyl-4-[3-(4-fluoranyl-1-benzofuran-7-yl)-2,5-dihydropyrrol-1-yl]-2-pyridin-2-yl-butan-1-one Openeye Name: 1-cycloheptyl-4-[3-(4-fluorobenzofuran-7-yl)-2,5-dihydropyrrol-1-yl]-2-(2-pyridyl)butan-1-one CAS Name: 1-cycloheptyl-4-[3-(4-fluoro-7-benzofuranyl)-2,5-dihydropyrrol-1-yl]-2-(2-pyridinyl)-1-butanone IUPAC Name: 1-cycloheptyl-4-[3-(4-fluoro-1-benzofuran-7-yl)-2,5-dihydropyrrol-1-yl]-2-pyridin-2-ylbutan-1-one Traditional Name: 1-cycloheptyl-4-[3-(4-fluorobenzofuran-7-yl)-3-pyrrolin-1-yl]-2-(2-pyridyl)butan-1-one Formula: C28H31FN2O2 MolecularWeight: 446.556343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)C(CCN2CC=C(C2)C3=C4C(=C(C=C3)F)C=CO4)C5=CC=CC=N5

Isomeric SMILES

C1CCCC(CC1)C(=O)C(CCN2CC=C(C2)C3=C4C(=C(C=C3)F)C=CO4)C5=CC=CC=N5

InChI

InChI=1S/C28H31FN2O2/c29-25-11-10-22(28-23(25)14-18-33-28)21-12-16-31(19-21)17-13-24(26-9-5-6-15-30-26)27(32)20-7-3-1-2-4-8-20/h5-6,9-12,14-15,18,20,24H,1-4,7-8,13,16-17,19H2