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

Systemtic Name: 1-cyclohexyl-4-[4-(5-fluoranyl-1-benzofuran-7-yl)-2,3-dihydropyrrol-1-yl]-2-pyridin-2-yl-butan-1-one Openeye Name: 1-cyclohexyl-4-[4-(5-fluorobenzofuran-7-yl)-2,3-dihydropyrrol-1-yl]-2-(2-pyridyl)butan-1-one CAS Name: 1-cyclohexyl-4-[4-(5-fluoro-7-benzofuranyl)-2,3-dihydropyrrol-1-yl]-2-(2-pyridinyl)-1-butanone IUPAC Name: 1-cyclohexyl-4-[4-(5-fluoro-1-benzofuran-7-yl)-2,3-dihydropyrrol-1-yl]-2-pyridin-2-ylbutan-1-one Traditional Name: 1-cyclohexyl-4-[3-(5-fluorobenzofuran-7-yl)-2-pyrrolin-1-yl]-2-(2-pyridyl)butan-1-one Formula: C27H29FN2O2 MolecularWeight: 432.529763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CCN2CCC(=C2)C3=C4C(=CC(=C3)F)C=CO4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CCC(=C2)C3=C4C(=CC(=C3)F)C=CO4)C5=CC=CC=N5

InChI

InChI=1S/C27H29FN2O2/c28-22-16-20-11-15-32-27(20)24(17-22)21-9-13-30(18-21)14-10-23(25-8-4-5-12-29-25)26(31)19-6-2-1-3-7-19/h4-5,8,11-12,15-19,23H,1-3,6-7,9-10,13-14H2