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

Systemtic Name: 3-[1-(3-azidopropyl)indol-3-yl]-4-(1-methylindol-3-yl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[1-(3-azidopropyl)indol-3-yl]-4-(1-methylindol-3-yl)-1H-1,2,4-triazol-5-one CAS Name: 3-[1-(3-azidopropyl)-3-indolyl]-4-(1-methyl-3-indolyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(3-azidopropyl)indol-3-yl]-4-(1-methylindol-3-yl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[1-(3-azidopropyl)indol-3-yl]-4-(1-methylindol-3-yl)-1H-1,2,4-triazol-5-one Formula: C22H20N8O MolecularWeight: 412.4472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)N3C(=NNC3=O)C4=CN(C5=CC=CC=C54)CCCN=[N+]=[N-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)N3C(=NNC3=O)C4=CN(C5=CC=CC=C54)CCCN=[N+]=[N-]

InChI

InChI=1S/C22H20N8O/c1-28-14-20(16-8-3-4-9-18(16)28)30-21(25-26-22(30)31)17-13-29(12-6-11-24-27-23)19-10-5-2-7-15(17)19/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,26,31)