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

Systemtic Name: 3,9-dimethoxy-12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Openeye Name: 3,9-dimethoxy-12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole CAS Name: 3,9-dimethoxy-12-[5-(1-pyrrolidinyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole IUPAC Name: 3,9-dimethoxy-12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole Traditional Name: 3,9-dimethoxy-12-(5-pyrrolidinopentyl)-6,7-dihydro-[1]benzothiepin[5,4-b]indole Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C3=C2CCSC4=C3C=CC(=C4)OC)CCCCCN5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=C2CCSC4=C3C=CC(=C4)OC)CCCCCN5CCCC5

InChI

InChI=1S/C27H34N2O2S/c1-30-20-9-11-25-24(18-20)22-12-17-32-26-19-21(31-2)8-10-23(26)27(22)29(25)16-5-3-4-13-28-14-6-7-15-28/h8-11,18-19H,3-7,12-17H2,1-2H3