1-(3-chloranyl-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 1-(3-chloranyl-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine IUPAC Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Formula: C19H21ClN2OS MolecularWeight: 360.90084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2OS/c1-23-15-4-2-13-10-17(22-8-6-21-7-9-22)16-11-14(20)3-5-18(16)24-19(13)12-15/h2-5,11-12,17,21H,6-10H2,1H3