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

Systemtic Name: 2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-5-(3-bromophenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(3-bromophenyl)-1H-1,2,4-triazol-3-one CAS Name: 2-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-5-(3-bromophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-5-(3-bromophenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(3-bromophenyl)-1H-1,2,4-triazol-3-one Formula: C19H17BrFN5O MolecularWeight: 430.273583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC(=O)N(N2)C3=CN(C4=C3C=C(C=C4)F)CCCN

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=O)N(N2)C3=CN(C4=C3C=C(C=C4)F)CCCN

InChI

InChI=1S/C19H17BrFN5O/c20-13-4-1-3-12(9-13)18-23-19(27)26(24-18)17-11-25(8-2-7-22)16-6-5-14(21)10-15(16)17/h1,3-6,9-11H,2,7-8,22H2,(H,23,24,27)