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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-ethoxyethyl)piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-ethoxyethyl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-ethoxyethyl)piperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-ethoxyethyl)piperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-ethoxyethyl)piperazine Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

CCOCCN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C22H27ClN2OS/c1-2-26-14-13-24-9-11-25(12-10-24)20-16-17-15-18(23)7-8-21(17)27-22-6-4-3-5-19(20)22/h3-8,15,20H,2,9-14,16H2,1H3