3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]but-2-enamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]but-2-enamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]but-2-enamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-butenamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]but-2-enamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]but-2-enamide Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCCC1=CNC2=C1C=C(C=C2)F)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=CC(=O)NCCC1=CNC2=C1C=C(C=C2)F)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H23FN2O3/c1-15(16-3-6-21-22(12-16)29-10-2-9-28-21)11-23(27)25-8-7-17-14-26-20-5-4-18(24)13-19(17)20/h3-6,11-14,26H,2,7-10H2,1H3,(H,25,27)