3-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-en-2-one

Systemtic Name: 3-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-en-2-one Openeye Name: 3-[4-(4-fluorophenyl)-6-isopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-en-2-one CAS Name: 3-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-buten-2-one IUPAC Name: 3-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-en-2-one Traditional Name: 3-[4-(4-fluorophenyl)-6-isopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-en-2-one Formula: C20H19FN2O MolecularWeight: 322.376063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C=CNC2=N1)C3=CC=C(C=C3)F)C(=C)C(=O)C

Isomeric SMILES

CC(C)C1=C(C(=C2C=CNC2=N1)C3=CC=C(C=C3)F)C(=C)C(=O)C

InChI

InChI=1S/C20H19FN2O/c1-11(2)19-17(12(3)13(4)24)18(14-5-7-15(21)8-6-14)16-9-10-22-20(16)23-19/h5-11H,3H2,1-2,4H3,(H,22,23)