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

Systemtic Name: 3-methoxy-12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Openeye Name: 3-methoxy-12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole CAS Name: 3-methoxy-12-[5-(1-pyrrolidinyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole IUPAC Name: 3-methoxy-12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Traditional Name: 3-methoxy-12-(5-pyrrolidinopentyl)-6,7-dihydro-[1]benzothiepin[5,4-b]indole Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CCS2)C4=CC=CC=C4N3CCCCCN5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CCS2)C4=CC=CC=C4N3CCCCCN5CCCC5

InChI

InChI=1S/C26H32N2OS/c1-29-20-11-12-23-25(19-20)30-18-13-22-21-9-3-4-10-24(21)28(26(22)23)17-6-2-5-14-27-15-7-8-16-27/h3-4,9-12,19H,2,5-8,13-18H2,1H3