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

Systemtic Name: 3,9-dimethoxy-12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Openeye Name: 3,9-dimethoxy-12-[5-(1-piperidyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole CAS Name: 3,9-dimethoxy-12-[5-(1-piperidinyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole IUPAC Name: 3,9-dimethoxy-12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Traditional Name: 3,9-dimethoxy-12-(5-piperidinopentyl)-6,7-dihydro-[1]benzothiepin[5,4-b]indole Formula: C28H36N2O2S MolecularWeight: 464.66264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C3=C2CCSC4=C3C=CC(=C4)OC)CCCCCN5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=C2CCSC4=C3C=CC(=C4)OC)CCCCCN5CCCCC5

InChI

InChI=1S/C28H36N2O2S/c1-31-21-10-12-26-25(19-21)23-13-18-33-27-20-22(32-2)9-11-24(27)28(23)30(26)17-8-4-7-16-29-14-5-3-6-15-29/h9-12,19-20H,3-8,13-18H2,1-2H3