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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(3-methoxypropyl)piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(3-methoxypropyl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(3-methoxypropyl)piperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(3-methoxypropyl)piperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(3-methoxypropyl)piperazine Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

COCCCN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C22H27ClN2OS/c1-26-14-4-9-24-10-12-25(13-11-24)20-16-17-15-18(23)7-8-21(17)27-22-6-3-2-5-19(20)22/h2-3,5-8,15,20H,4,9-14,16H2,1H3