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

Systemtic Name: 4-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-pyridin-3-yl-1H-1,2,4-triazol-5-one hydrochloride Openeye Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-(3-pyridyl)-1H-1,2,4-triazol-5-one hydrochloride CAS Name: 4-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-one hydrochloride IUPAC Name: 4-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-3-pyridin-3-yl-1H-1,2,4-triazol-5-one hydrochloride Traditional Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-(3-pyridyl)-1H-1,2,4-triazol-5-one hydrochloride Formula: C18H18ClFN6O MolecularWeight: 388.826523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NNC(=O)N2C3=CN(C4=C3C=C(C=C4)F)CCCN.Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NNC(=O)N2C3=CN(C4=C3C=C(C=C4)F)CCCN.Cl

InChI

InChI=1S/C18H17FN6O.ClH/c19-13-4-5-15-14(9-13)16(11-24(15)8-2-6-20)25-17(22-23-18(25)26)12-3-1-7-21-10-12;/h1,3-5,7,9-11H,2,6,8,20H2,(H,23,26);1H