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

Systemtic Name: 2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-one CAS Name: 2-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-one Formula: C21H19FN6O MolecularWeight: 390.413563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

InChI

InChI=1S/C21H19FN6O/c22-13-6-7-18-15(10-13)19(12-27(18)9-3-8-23)28-21(29)25-20(26-28)16-11-24-17-5-2-1-4-14(16)17/h1-2,4-7,10-12,24H,3,8-9,23H2,(H,25,26,29)