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

Systemtic Name: 3-methoxy-12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Openeye Name: 3-methoxy-12-[5-(1-piperidyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole CAS Name: 3-methoxy-12-[5-(1-piperidinyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole IUPAC Name: 3-methoxy-12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Traditional Name: 3-methoxy-12-(5-piperidinopentyl)-6,7-dihydro-[1]benzothiepin[5,4-b]indole Formula: C27H34N2OS MolecularWeight: 434.63666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CCS2)C4=CC=CC=C4N3CCCCCN5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CCS2)C4=CC=CC=C4N3CCCCCN5CCCCC5

InChI

InChI=1S/C27H34N2OS/c1-30-21-12-13-24-26(20-21)31-19-14-23-22-10-4-5-11-25(22)29(27(23)24)18-9-3-8-17-28-15-6-2-7-16-28/h4-5,10-13,20H,2-3,6-9,14-19H2,1H3