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

Systemtic Name: 2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-5-(1-methylindol-3-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(1-methylindol-3-yl)-1H-1,2,4-triazol-3-one CAS Name: 2-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-5-(1-methyl-3-indolyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-5-(1-methylindol-3-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(1-methylindol-3-yl)-1H-1,2,4-triazol-3-one Formula: C22H21FN6O MolecularWeight: 404.440143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

InChI

InChI=1S/C22H21FN6O/c1-27-12-17(15-5-2-3-6-18(15)27)21-25-22(30)29(26-21)20-13-28(10-4-9-24)19-8-7-14(23)11-16(19)20/h2-3,5-8,11-13H,4,9-10,24H2,1H3,(H,25,26,30)