4-[5-[4-(piperazin-1-ylmethyl)phenoxy]pentylsulfanyl]-7-(trifluoromethyl)quinoline

Systemtic Name: 4-[5-[4-(piperazin-1-ylmethyl)phenoxy]pentylsulfanyl]-7-(trifluoromethyl)quinoline Openeye Name: 4-[5-[4-(piperazin-1-ylmethyl)phenoxy]pentylsulfanyl]-7-(trifluoromethyl)quinoline CAS Name: 4-[5-[4-(1-piperazinylmethyl)phenoxy]pentylthio]-7-(trifluoromethyl)quinoline IUPAC Name: 4-[5-[4-(piperazin-1-ylmethyl)phenoxy]pentylsulfanyl]-7-(trifluoromethyl)quinoline Traditional Name: 4-[5-[4-(piperazinomethyl)phenoxy]pentylthio]-7-(trifluoromethyl)quinoline Formula: C26H30F3N3OS MolecularWeight: 489.59611

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=C(C=C2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)CC2=CC=C(C=C2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C26H30F3N3OS/c27-26(28,29)21-6-9-23-24(18-21)31-11-10-25(23)34-17-3-1-2-16-33-22-7-4-20(5-8-22)19-32-14-12-30-13-15-32/h4-11,18,30H,1-3,12-17,19H2