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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-benzyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Formula: C25H25ClN2S MolecularWeight: 420.9974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C25H25ClN2S/c26-21-10-11-25-22(17-21)23(16-20-8-4-5-9-24(20)29-25)28-14-12-27(13-15-28)18-19-6-2-1-3-7-19/h1-11,17,23H,12-16,18H2