[4-methyl-2-[[3-oxidanylidene-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]-5-(trifluoromethyl)phenyl]carbamic acid

Systemtic Name: [4-methyl-2-[[3-oxidanylidene-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]-5-(trifluoromethyl)phenyl]carbamic acid Openeye Name: [4-methyl-2-[[3-oxo-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]-5-(trifluoromethyl)phenyl]carbamic acid CAS Name: [2-[[1,3-dioxo-3-[3-(2-pyrazinyl)phenyl]propyl]amino]-4-methyl-5-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: [4-methyl-2-[[3-oxo-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]-5-(trifluoromethyl)phenyl]carbamic acid Traditional Name: [2-[[3-keto-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]-4-methyl-5-(trifluoromethyl)phenyl]carbamic acid Formula: C22H17F3N4O4 MolecularWeight: 458.38999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(F)(F)F)NC(=O)O)NC(=O)CC(=O)C2=CC=CC(=C2)C3=NC=CN=C3

Isomeric SMILES

CC1=CC(=C(C=C1C(F)(F)F)NC(=O)O)NC(=O)CC(=O)C2=CC=CC(=C2)C3=NC=CN=C3

InChI

InChI=1S/C22H17F3N4O4/c1-12-7-16(17(29-21(32)33)9-15(12)22(23,24)25)28-20(31)10-19(30)14-4-2-3-13(8-14)18-11-26-5-6-27-18/h2-9,11,29H,10H2,1H3,(H,28,31)(H,32,33)