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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(3-phenylpropyl)piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(3-phenylpropyl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(3-phenylpropyl)piperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(3-phenylpropyl)piperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(3-phenylpropyl)piperazine Formula: C27H29ClN2S MolecularWeight: 449.05056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN2S/c28-23-12-13-27-24(20-23)25(19-22-10-4-5-11-26(22)31-27)30-17-15-29(16-18-30)14-6-9-21-7-2-1-3-8-21/h1-5,7-8,10-13,20,25H,6,9,14-19H2