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

Systemtic Name: 12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol Openeye Name: 12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol CAS Name: 12-[5-(1-pyrrolidinyl)pentyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol IUPAC Name: 12-(5-pyrrolidin-1-ylpentyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole-3,9-diol Traditional Name: 12-(5-pyrrolidinopentyl)-6,7-dihydro-[1]benzothiepin[5,4-b]indole-3,9-diol Formula: C25H30N2O2S MolecularWeight: 422.5829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCCN2C3=C(C=C(C=C3)O)C4=C2C5=C(C=C(C=C5)O)SCC4

Isomeric SMILES

C1CCN(C1)CCCCCN2C3=C(C=C(C=C3)O)C4=C2C5=C(C=C(C=C5)O)SCC4

InChI

InChI=1S/C25H30N2O2S/c28-18-7-9-23-22(16-18)20-10-15-30-24-17-19(29)6-8-21(24)25(20)27(23)14-3-1-2-11-26-12-4-5-13-26/h6-9,16-17,28-29H,1-5,10-15H2