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

Systemtic Name: 1-(3-chloranyl-1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-(3-chloro-1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-(3-chloro-1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine IUPAC Name: 1-(3-chloro-1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-(3-chloro-1-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=C2C(=CC(=C1)Cl)C(CC3=CC=CC=C3S2)N4CCNCC4

Isomeric SMILES

COC1=C2C(=CC(=C1)Cl)C(CC3=CC=CC=C3S2)N4CCNCC4

InChI

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