2-piperazin-1-yl-3-propyl-5-[9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]xanthen-9-yl]pyridine-4-carboxamide

Systemtic Name: 2-piperazin-1-yl-3-propyl-5-[9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]xanthen-9-yl]pyridine-4-carboxamide Openeye Name: 2-piperazin-1-yl-3-propyl-5-[9-(2,2,2-trifluoroethylcarbamoyl)xanthen-9-yl]pyridine-4-carboxamide CAS Name: 5-[9-[oxo-(2,2,2-trifluoroethylamino)methyl]-9-xanthenyl]-2-(1-piperazinyl)-3-propyl-4-pyridinecarboxamide IUPAC Name: 2-piperazin-1-yl-3-propyl-5-[9-(2,2,2-trifluoroethylcarbamoyl)xanthen-9-yl]pyridine-4-carboxamide Traditional Name: 2-piperazino-3-propyl-5-[9-(2,2,2-trifluoroethylcarbamoyl)xanthen-9-yl]isonicotinamide Formula: C29H30F3N5O3 MolecularWeight: 553.57541

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CN=C1N2CCNCC2)C3(C4=CC=CC=C4OC5=CC=CC=C53)C(=O)NCC(F)(F)F)C(=O)N

Isomeric SMILES

CCCC1=C(C(=CN=C1N2CCNCC2)C3(C4=CC=CC=C4OC5=CC=CC=C53)C(=O)NCC(F)(F)F)C(=O)N

InChI

InChI=1S/C29H30F3N5O3/c1-2-7-18-24(25(33)38)21(16-35-26(18)37-14-12-34-13-15-37)29(27(39)36-17-28(30,31)32)19-8-3-5-10-22(19)40-23-11-6-4-9-20(23)29/h3-6,8-11,16,34H,2,7,12-15,17H2,1H3,(H2,33,38)(H,36,39)