3,3-dimethyl-N-(1-oxidanylidene-3-phenyl-1-piperazin-1-yl-propan-2-yl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanamide

Systemtic Name: 3,3-dimethyl-N-(1-oxidanylidene-3-phenyl-1-piperazin-1-yl-propan-2-yl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanamide Openeye Name: N-(1-benzyl-2-oxo-2-piperazin-1-yl-ethyl)-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanamide CAS Name: 3,3-dimethyl-N-[1-oxo-3-phenyl-1-(1-piperazinyl)propan-2-yl]-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]butanamide IUPAC Name: 3,3-dimethyl-N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanamide Traditional Name: N-(1-benzyl-2-keto-2-piperazino-ethyl)-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butyramide Formula: C27H34F3N5O3 MolecularWeight: 533.58577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCNCC2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCNCC2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C27H34F3N5O3/c1-26(2,3)22(34-25(38)32-20-11-7-10-19(17-20)27(28,29)30)23(36)33-21(16-18-8-5-4-6-9-18)24(37)35-14-12-31-13-15-35/h4-11,17,21-22,31H,12-16H2,1-3H3,(H,33,36)(H2,32,34,38)