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

Systemtic Name: 9-methoxy-12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Openeye Name: 9-methoxy-12-[5-(1-piperidyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole CAS Name: 9-methoxy-12-[5-(1-piperidinyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole IUPAC Name: 9-methoxy-12-(5-piperidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Traditional Name: 9-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)N(C3=C2CCSC4=CC=CC=C43)CCCCCN5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=C2CCSC4=CC=CC=C43)CCCCCN5CCCCC5

InChI

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