1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide

Systemtic Name: 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Openeye Name: 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide CAS Name: 1-methoxy-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide IUPAC Name: 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Traditional Name: 1-methoxy-5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=CC=C4OC

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=CC=C4OC

InChI

InChI=1S/C20H24N2O2S/c1-21-10-12-22(13-11-21)17-14-15-6-3-4-9-19(15)25(23)20-16(17)7-5-8-18(20)24-2/h3-9,17H,10-14H2,1-2H3