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

Systemtic Name: 4-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-phenyl-1H-1,2,4-triazol-5-one hydrochloride Openeye Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-phenyl-1H-1,2,4-triazol-5-one hydrochloride CAS Name: 4-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-3-phenyl-1H-1,2,4-triazol-5-one hydrochloride IUPAC Name: 4-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-3-phenyl-1H-1,2,4-triazol-5-one hydrochloride Traditional Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-phenyl-1H-1,2,4-triazol-5-one hydrochloride Formula: C19H19ClFN5O MolecularWeight: 387.838463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O.ClH/c20-14-7-8-16-15(11-14)17(12-24(16)10-4-9-21)25-18(22-23-19(25)26)13-5-2-1-3-6-13;/h1-3,5-8,11-12H,4,9-10,21H2,(H,23,26);1H