3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]carbamoyl]pyrazinoic acid Formula: C17H15F3N4O3 MolecularWeight: 380.32121

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C17H15F3N4O3/c18-17(19,20)10-3-4-12(24-7-1-2-8-24)11(9-10)23-15(25)13-14(16(26)27)22-6-5-21-13/h3-6,9H,1-2,7-8H2,(H,23,25)(H,26,27)