1-[4-fluoranyl-7-(3-pyridin-3-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-3-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-(3-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-(3-pyridinyl)-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-3-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-(3-pyridyl)-1H-1,2,4-triazol-5-yl]-1H-indol-3-yl]ethane-1,2-dione Formula: C28H22FN7O3 MolecularWeight: 523.517783

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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=CN=CC=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=CN=CC=C6

InChI

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