4-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-quinolin-2-yl-1H-1,2,4-triazol-5-one dihydrochloride

Systemtic Name: 4-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-quinolin-2-yl-1H-1,2,4-triazol-5-one dihydrochloride Openeye Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-(2-quinolyl)-1H-1,2,4-triazol-5-one dihydrochloride CAS Name: 4-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-3-(2-quinolinyl)-1H-1,2,4-triazol-5-one dihydrochloride IUPAC Name: 4-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-3-quinolin-2-yl-1H-1,2,4-triazol-5-one dihydrochloride Traditional Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-(2-quinolyl)-1H-1,2,4-triazol-5-one dihydrochloride Formula: C22H21Cl2FN6O MolecularWeight: 475.346143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCN.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCN.Cl.Cl

InChI

InChI=1S/C22H19FN6O.2ClH/c23-15-7-9-19-16(12-15)20(13-28(19)11-3-10-24)29-21(26-27-22(29)30)18-8-6-14-4-1-2-5-17(14)25-18;;/h1-2,4-9,12-13H,3,10-11,24H2,(H,27,30);2*1H