6-(4-ethylpiperazin-1-yl)-8-fluoranyl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-8-fluoranyl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Openeye Name: 6-(4-ethylpiperazin-1-yl)-8-fluoro-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine CAS Name: 6-(4-ethyl-1-piperazinyl)-8-fluoro-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-8-fluoro-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Traditional Name: 6-(4-ethylpiperazino)-8-fluoro-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Formula: C18H22FN3S MolecularWeight: 331.450783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2CN3C=CC=C3SC4=C2C=C(C=C4)F

Isomeric SMILES

CCN1CCN(CC1)C2CN3C=CC=C3SC4=C2C=C(C=C4)F

InChI

InChI=1S/C18H22FN3S/c1-2-20-8-10-21(11-9-20)16-13-22-7-3-4-18(22)23-17-6-5-14(19)12-15(16)17/h3-7,12,16H,2,8-11,13H2,1H3