1-methyl-4-(3-pyridin-2-yloxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 1-methyl-4-(3-pyridin-2-yloxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-methyl-4-[3-(2-pyridyloxy)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine CAS Name: 1-methyl-4-[3-(2-pyridinyloxy)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine IUPAC Name: 1-methyl-4-(3-pyridin-2-yloxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-methyl-4-[3-(2-pyridyloxy)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC5=CC=CC=N5

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC5=CC=CC=N5

InChI

InChI=1S/C24H25N3OS/c1-26-12-14-27(15-13-26)21-16-18-6-2-3-7-22(18)29-23-10-9-19(17-20(21)23)28-24-8-4-5-11-25-24/h2-11,17,21H,12-16H2,1H3