4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-butyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-butyl-piperazine-1-carboxamide Openeye Name: 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-butyl-piperazine-1-carboxamide CAS Name: 4-[4-[[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-N-butyl-1-piperazinecarboxamide IUPAC Name: 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-butylpiperazine-1-carboxamide Traditional Name: 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-butyl-piperazine-1-carboxamide Formula: C24H27F6N5O2 MolecularWeight: 531.493899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H27F6N5O2/c1-2-3-8-31-22(37)35-11-9-34(10-12-35)20-6-4-18(5-7-20)32-21(36)33-19-14-16(23(25,26)27)13-17(15-19)24(28,29)30/h4-7,13-15H,2-3,8-12H2,1H3,(H,31,37)(H2,32,33,36)