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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenethyl-piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenethyl-piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenethylpiperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenethylpiperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenethyl-piperazine Formula: C26H27ClN2S MolecularWeight: 435.02398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN2S/c27-22-10-11-26-23(19-22)24(18-21-8-4-5-9-25(21)30-26)29-16-14-28(15-17-29)13-12-20-6-2-1-3-7-20/h1-11,19,24H,12-18H2