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

Systemtic Name: 3,4-bis[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-1H-1,2,4-triazol-5-one Openeye Name: 3,4-bis[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-1H-1,2,4-triazol-5-one CAS Name: 3,4-bis[1-(3-aminopropyl)-5-fluoro-3-indolyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3,4-bis[1-(3-aminopropyl)-5-fluoroindol-3-yl]-1H-1,2,4-triazol-5-one Traditional Name: 3,4-bis[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-1H-1,2,4-triazol-5-one Formula: C24H25F2N7O MolecularWeight: 465.498406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=CN2CCCN)C3=NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCN

Isomeric SMILES

C1=CC2=C(C=C1F)C(=CN2CCCN)C3=NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCN

InChI

InChI=1S/C24H25F2N7O/c25-15-3-5-20-17(11-15)19(13-31(20)9-1-7-27)23-29-30-24(34)33(23)22-14-32(10-2-8-28)21-6-4-16(26)12-18(21)22/h3-6,11-14H,1-2,7-10,27-28H2,(H,30,34)