1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenoxyethyl)piperazine

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenoxyethyl)piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenoxyethyl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenoxyethyl)piperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenoxyethyl)piperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenoxyethyl)piperazine Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C3CC4=C(C=CC(=C4)Cl)SC5=CC=CC=C35

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C3CC4=C(C=CC(=C4)Cl)SC5=CC=CC=C35

InChI

InChI=1S/C26H27ClN2OS/c27-21-10-11-25-20(18-21)19-24(23-8-4-5-9-26(23)31-25)29-14-12-28(13-15-29)16-17-30-22-6-2-1-3-7-22/h1-11,18,24H,12-17,19H2