3-chloranyl-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide

Systemtic Name: 3-chloranyl-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Openeye Name: 3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide CAS Name: 3-chloro-9-methoxy-5-(1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide IUPAC Name: 3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Traditional Name: 3-chloro-9-methoxy-5-piperazino-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(C3=C(S2=O)C=CC(=C3)Cl)N4CCNCC4)C=C1

Isomeric SMILES

COC1=CC2=C(CC(C3=C(S2=O)C=CC(=C3)Cl)N4CCNCC4)C=C1

InChI

InChI=1S/C19H21ClN2O2S/c1-24-15-4-2-13-10-17(22-8-6-21-7-9-22)16-11-14(20)3-5-18(16)25(23)19(13)12-15/h2-5,11-12,17,21H,6-10H2,1H3