1-[4-fluoranyl-7-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]-2-[4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione

Systemtic Name: 1-[4-fluoranyl-7-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]-2-[4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-1H-indol-3-yl]ethane-1,2-dione CAS Name: 1-(4-benzoyl-1-piperazinyl)-2-[4-fluoro-7-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione IUPAC Name: 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione Traditional Name: 1-(4-benzoylpiperazino)-2-[4-fluoro-7-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-1H-indol-3-yl]ethane-1,2-dione Formula: C28H22FN7O3 MolecularWeight: 523.517783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NC(=NN5)C6=CC=NC=C6

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NC(=NN5)C6=CC=NC=C6

InChI

InChI=1S/C28H22FN7O3/c29-21-7-6-19(26-32-25(33-34-26)17-8-10-30-11-9-17)23-22(21)20(16-31-23)24(37)28(39)36-14-12-35(13-15-36)27(38)18-4-2-1-3-5-18/h1-11,16,31H,12-15H2,(H,32,33,34)