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

Systemtic Name: 4-[4-(2-methylpropanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[4-(2-methylpropanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-[4-[(2-methyl-1-oxopropyl)amino]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[4-(2-methylpropanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-[4-(isobutyrylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C27H32F3N5O3 MolecularWeight: 531.56989

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H32F3N5O3/c1-18(2)24(36)31-21-8-9-23(22(17-21)25(37)34-10-3-4-11-34)33-12-14-35(15-13-33)26(38)32-20-7-5-6-19(16-20)27(28,29)30/h5-9,16-18H,3-4,10-15H2,1-2H3,(H,31,36)(H,32,38)