N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide Traditional Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-fluoro-benzamide Formula: C27H24FN3O4 MolecularWeight: 473.495563

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F)OC1

InChI

InChI=1S/C27H24FN3O4/c28-19-8-6-17(7-9-19)26(32)31-23(14-18-16-29-22-5-2-1-4-21(18)22)27(33)30-20-10-11-24-25(15-20)35-13-3-12-34-24/h1-2,4-11,15-16,23,29H,3,12-14H2,(H,30,33)(H,31,32)