4-[4-(3-methylbutanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-[4-(3-methylbutanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[4-(3-methylbutanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[4-(3-methylbutanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-[4-(isovalerylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C28H34F3N5O3 MolecularWeight: 545.59647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N4CCCC4

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N4CCCC4

InChI

InChI=1S/C28H34F3N5O3/c1-19(2)16-25(37)32-22-8-9-24(23(18-22)26(38)35-10-3-4-11-35)34-12-14-36(15-13-34)27(39)33-21-7-5-6-20(17-21)28(29,30)31/h5-9,17-19H,3-4,10-16H2,1-2H3,(H,32,37)(H,33,39)