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

Systemtic Name: 2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-5-(1-ethylindol-3-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(1-ethylindol-3-yl)-1H-1,2,4-triazol-3-one CAS Name: 2-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-5-(1-ethyl-3-indolyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-5-(1-ethylindol-3-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(1-ethylindol-3-yl)-1H-1,2,4-triazol-3-one Formula: C23H23FN6O MolecularWeight: 418.466723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

InChI

InChI=1S/C23H23FN6O/c1-2-28-13-18(16-6-3-4-7-19(16)28)22-26-23(31)30(27-22)21-14-29(11-5-10-25)20-9-8-15(24)12-17(20)21/h3-4,6-9,12-14H,2,5,10-11,25H2,1H3,(H,26,27,31)