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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexyl-piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexyl-piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexyl-piperazine Formula: C24H29ClN2S MolecularWeight: 413.01846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C24H29ClN2S/c25-19-10-11-24-21(17-19)22(16-18-6-4-5-9-23(18)28-24)27-14-12-26(13-15-27)20-7-2-1-3-8-20/h4-6,9-11,17,20,22H,1-3,7-8,12-16H2