[5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol

Systemtic Name: [5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol Openeye Name: [5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol CAS Name: [5-(4-methyl-1-piperazinyl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol IUPAC Name: [5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol Traditional Name: [5-(4-methylpiperazino)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3C=CC=CC3SC4=C2C=C(C=C4)CO

Isomeric SMILES

CN1CCN(CC1)C2CC3C=CC=CC3SC4=C2C=C(C=C4)CO

InChI

InChI=1S/C20H26N2OS/c1-21-8-10-22(11-9-21)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-23)12-17(18)20/h2-7,12,16,18-19,23H,8-11,13-14H2,1H3