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

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-4-yl-piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(4-pyridyl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-4-ylpiperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-4-ylpiperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(4-pyridyl)piperazine Formula: C23H22ClN3S MolecularWeight: 407.95888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3S/c24-18-5-6-23-20(16-18)21(15-17-3-1-2-4-22(17)28-23)27-13-11-26(12-14-27)19-7-9-25-10-8-19/h1-10,16,21H,11-15H2