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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine Openeye Name: 1-benzhydryl-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-(diphenylmethyl)piperazine IUPAC Name: 1-benzhydryl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-benzhydryl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Formula: C31H29ClN2S MolecularWeight: 497.09336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H29ClN2S/c32-26-15-16-30-27(22-26)28(21-25-13-7-8-14-29(25)35-30)33-17-19-34(20-18-33)31(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,22,28,31H,17-21H2