1-(2,3-dihydroindol-1-yl)-2-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone Openeye Name: 1-indolin-1-yl-2-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone Traditional Name: 1-indolin-1-yl-2-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyrrolidino]ethanone Formula: C21H22N6O MolecularWeight: 374.43898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)N2CCC3=CC=CC=C32)C4=NC(=NN4)C5=CC=NC=C5

Isomeric SMILES

C1CC(N(C1)CC(=O)N2CCC3=CC=CC=C32)C4=NC(=NN4)C5=CC=NC=C5

InChI

InChI=1S/C21H22N6O/c28-19(27-13-9-15-4-1-2-5-17(15)27)14-26-12-3-6-18(26)21-23-20(24-25-21)16-7-10-22-11-8-16/h1-2,4-5,7-8,10-11,18H,3,6,9,12-14H2,(H,23,24,25)