1-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]decan-1-one

Systemtic Name: 1-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]decan-1-one Openeye Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]decan-1-one CAS Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-decanone IUPAC Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]decan-1-one Traditional Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]decan-1-one Formula: C28H37ClN2OS MolecularWeight: 485.12418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCCC(=O)N1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C28H37ClN2OS/c1-2-3-4-5-6-7-8-13-28(32)31-18-16-30(17-19-31)25-20-22-11-9-10-12-26(22)33-27-15-14-23(29)21-24(25)27/h9-12,14-15,21,25H,2-8,13,16-20H2,1H3