N-cyclohexyl-3-methyl-N-prop-2-enyl-2-[4-[3-[9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]xanthen-9-yl]propyl]piperazin-1-yl]pyridine-4-carboxamide

Systemtic Name: N-cyclohexyl-3-methyl-N-prop-2-enyl-2-[4-[3-[9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]xanthen-9-yl]propyl]piperazin-1-yl]pyridine-4-carboxamide Openeye Name: N-allyl-N-cyclohexyl-3-methyl-2-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)xanthen-9-yl]propyl]piperazin-1-yl]pyridine-4-carboxamide CAS Name: N-cyclohexyl-3-methyl-2-[4-[3-[9-[oxo-(2,2,2-trifluoroethylamino)methyl]-9-xanthenyl]propyl]-1-piperazinyl]-N-prop-2-enyl-4-pyridinecarboxamide IUPAC Name: N-cyclohexyl-3-methyl-N-prop-2-enyl-2-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)xanthen-9-yl]propyl]piperazin-1-yl]pyridine-4-carboxamide Traditional Name: N-allyl-N-cyclohexyl-3-methyl-2-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)xanthen-9-yl]propyl]piperazino]isonicotinamide Formula: C39H46F3N5O3 MolecularWeight: 689.80945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1N2CCN(CC2)CCCC3(C4=CC=CC=C4OC5=CC=CC=C53)C(=O)NCC(F)(F)F)C(=O)N(CC=C)C6CCCCC6

Isomeric SMILES

CC1=C(C=CN=C1N2CCN(CC2)CCCC3(C4=CC=CC=C4OC5=CC=CC=C53)C(=O)NCC(F)(F)F)C(=O)N(CC=C)C6CCCCC6

InChI

InChI=1S/C39H46F3N5O3/c1-3-21-47(29-12-5-4-6-13-29)36(48)30-18-20-43-35(28(30)2)46-25-23-45(24-26-46)22-11-19-38(37(49)44-27-39(40,41)42)31-14-7-9-16-33(31)50-34-17-10-8-15-32(34)38/h3,7-10,14-18,20,29H,1,4-6,11-13,19,21-27H2,2H3,(H,44,49)