1-(3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine

Systemtic Name: 1-(3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Openeye Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine CAS Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine IUPAC Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine Traditional Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Formula: C19H20ClFN2S MolecularWeight: 362.891903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)F

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)F

InChI

InChI=1S/C19H20ClFN2S/c1-22-6-8-23(9-7-22)17-11-13-10-14(20)2-4-18(13)24-19-5-3-15(21)12-16(17)19/h2-5,10,12,17H,6-9,11H2,1H3