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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azepane Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azepane CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azepane IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azepane Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azepane Formula: C20H22ClNS MolecularWeight: 343.91338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CCCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C20H22ClNS/c21-16-9-10-19-15(13-16)14-18(22-11-5-1-2-6-12-22)17-7-3-4-8-20(17)23-19/h3-4,7-10,13,18H,1-2,5-6,11-12,14H2