1-[3-chloranyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-yl]ethanone

Systemtic Name: 1-[3-chloranyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-yl]ethanone Openeye Name: 1-[3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-yl]ethanone CAS Name: 1-[3-chloro-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-8-yl]ethanone IUPAC Name: 1-[3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-yl]ethanone Traditional Name: 1-[3-chloro-5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-8-yl]ethanone Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(C2)N4CCN(CC4)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(C2)N4CCN(CC4)C

InChI

InChI=1S/C21H23ClN2OS/c1-14(25)15-3-5-20-16(11-15)12-19(24-9-7-23(2)8-10-24)18-13-17(22)4-6-21(18)26-20/h3-6,11,13,19H,7-10,12H2,1-2H3