4-[2-(6-azanylhexanoylamino)-3-methyl-pentanoyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-[2-(6-azanylhexanoylamino)-3-methyl-pentanoyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[2-(6-aminohexanoylamino)-3-methyl-pentanoyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-[2-[(6-amino-1-oxohexyl)amino]-3-methyl-1-oxopentyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-(6-aminohexanoylamino)-3-methylpentanoyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-[2-(6-aminohexanoylamino)-3-methyl-pentanoyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C24H36F3N5O3 MolecularWeight: 499.56955

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)CCCCCN

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)CCCCCN

InChI

InChI=1S/C24H36F3N5O3/c1-3-17(2)21(30-20(33)10-5-4-6-11-28)22(34)31-12-14-32(15-13-31)23(35)29-19-9-7-8-18(16-19)24(25,26)27/h7-9,16-17,21H,3-6,10-15,28H2,1-2H3,(H,29,35)(H,30,33)