9-(4-aminocarbonyl-3-piperazin-1-yl-2-propyl-phenyl)-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide

Systemtic Name: 9-(4-aminocarbonyl-3-piperazin-1-yl-2-propyl-phenyl)-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide Openeye Name: 9-(4-carbamoyl-3-piperazin-1-yl-2-propyl-phenyl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide CAS Name: 9-[4-carbamoyl-3-(1-piperazinyl)-2-propylphenyl]-N-(2,2,2-trifluoroethyl)-9-xanthenecarboxamide IUPAC Name: 9-(4-carbamoyl-3-piperazin-1-yl-2-propylphenyl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Traditional Name: 9-(4-carbamoyl-3-piperazino-2-propyl-phenyl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Formula: C30H31F3N4O3 MolecularWeight: 552.58735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31F3N4O3/c1-2-7-19-21(13-12-20(27(34)38)26(19)37-16-14-35-15-17-37)30(28(39)36-18-29(31,32)33)22-8-3-5-10-24(22)40-25-11-6-4-9-23(25)30/h3-6,8-13,35H,2,7,14-18H2,1H3,(H2,34,38)(H,36,39)