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

Systemtic Name: 2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-5-(4-phenoxyphenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(4-phenoxyphenyl)-1H-1,2,4-triazol-3-one CAS Name: 2-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-5-(4-phenoxyphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-5-(4-phenoxyphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-5-(4-phenoxyphenyl)-1H-1,2,4-triazol-3-one Formula: C25H22FN5O2 MolecularWeight: 443.472883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

InChI

InChI=1S/C25H22FN5O2/c26-18-9-12-22-21(15-18)23(16-30(22)14-4-13-27)31-25(32)28-24(29-31)17-7-10-20(11-8-17)33-19-5-2-1-3-6-19/h1-3,5-12,15-16H,4,13-14,27H2,(H,28,29,32)