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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C(C=C(C=C24)Cl)F

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C(C=C(C=C24)Cl)F

InChI

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