12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol

Systemtic Name: 12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol Openeye Name: 12-[5-(1-piperidyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol CAS Name: 12-[5-(1-piperidinyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol IUPAC Name: 12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol Traditional Name: 12-(5-piperidinopentyl)-6,7-dihydro-[1]benzothiepin[5,4-b]indole-3,9-diol Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCN2C3=C(C=C(C=C3)O)C4=C2C5=C(C=C(C=C5)O)SCC4

Isomeric SMILES

C1CCN(CC1)CCCCCN2C3=C(C=C(C=C3)O)C4=C2C5=C(C=C(C=C5)O)SCC4

InChI

InChI=1S/C26H32N2O2S/c29-19-8-10-24-23(17-19)21-11-16-31-25-18-20(30)7-9-22(25)26(21)28(24)15-6-2-5-14-27-12-3-1-4-13-27/h7-10,17-18,29-30H,1-6,11-16H2