9-[3-[4-[4-oxidanylidene-3-(pyridin-2-ylmethyl)phthalazin-6-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide

Systemtic Name: 9-[3-[4-[4-oxidanylidene-3-(pyridin-2-ylmethyl)phthalazin-6-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide Openeye Name: 9-[3-[4-[4-oxo-3-(2-pyridylmethyl)phthalazin-6-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide CAS Name: 9-[3-[4-[4-oxo-3-(2-pyridinylmethyl)-6-phthalazinyl]-1-piperazinyl]propyl]-N-(2,2,2-trifluoroethyl)-9-xanthenecarboxamide IUPAC Name: 9-[3-[4-[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-6-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Traditional Name: 9-[3-[4-[4-keto-3-(2-pyridylmethyl)phthalazin-6-yl]piperazino]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Formula: C37H35F3N6O3 MolecularWeight: 668.70741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2(C3=CC=CC=C3OC4=CC=CC=C42)C(=O)NCC(F)(F)F)C5=CC6=C(C=C5)C=NN(C6=O)CC7=CC=CC=N7

Isomeric SMILES

C1CN(CCN1CCCC2(C3=CC=CC=C3OC4=CC=CC=C42)C(=O)NCC(F)(F)F)C5=CC6=C(C=C5)C=NN(C6=O)CC7=CC=CC=N7

InChI

InChI=1S/C37H35F3N6O3/c38-37(39,40)25-42-35(48)36(30-9-1-3-11-32(30)49-33-12-4-2-10-31(33)36)15-7-17-44-18-20-45(21-19-44)28-14-13-26-23-43-46(34(47)29(26)22-28)24-27-8-5-6-16-41-27/h1-6,8-14,16,22-23H,7,15,17-21,24-25H2,(H,42,48)