4-[1-(3-azanylpropyl)-7-bromanyl-indol-3-yl]-3-(5-fluoranyl-1-methyl-indol-3-yl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[1-(3-azanylpropyl)-7-bromanyl-indol-3-yl]-3-(5-fluoranyl-1-methyl-indol-3-yl)-1H-1,2,4-triazol-5-one Openeye Name: 4-[1-(3-aminopropyl)-7-bromo-indol-3-yl]-3-(5-fluoro-1-methyl-indol-3-yl)-1H-1,2,4-triazol-5-one CAS Name: 4-[1-(3-aminopropyl)-7-bromo-3-indolyl]-3-(5-fluoro-1-methyl-3-indolyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-[1-(3-aminopropyl)-7-bromoindol-3-yl]-3-(5-fluoro-1-methylindol-3-yl)-1H-1,2,4-triazol-5-one Traditional Name: 4-[1-(3-aminopropyl)-7-bromo-indol-3-yl]-3-(5-fluoro-1-methyl-indol-3-yl)-1H-1,2,4-triazol-5-one Formula: C22H20BrFN6O MolecularWeight: 483.336203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)F)C3=NNC(=O)N3C4=CN(C5=C4C=CC=C5Br)CCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)F)C3=NNC(=O)N3C4=CN(C5=C4C=CC=C5Br)CCCN

InChI

InChI=1S/C22H20BrFN6O/c1-28-11-16(15-10-13(24)6-7-18(15)28)21-26-27-22(31)30(21)19-12-29(9-3-8-25)20-14(19)4-2-5-17(20)23/h2,4-7,10-12H,3,8-9,25H2,1H3,(H,27,31)