ethyl 4-[7-oxidanylidene-4-(trifluoromethyl)-8H-1,8-naphthyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[7-oxidanylidene-4-(trifluoromethyl)-8H-1,8-naphthyridin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[7-oxo-4-(trifluoromethyl)-8H-1,8-naphthyridin-2-yl]piperazine-1-carboxylate CAS Name: 4-[7-oxo-4-(trifluoromethyl)-8H-1,8-naphthyridin-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-oxo-4-(trifluoromethyl)-8H-1,8-naphthyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[7-keto-4-(trifluoromethyl)-8H-1,8-naphthyridin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H17F3N4O3 MolecularWeight: 370.32639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=O)N3)C(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=O)N3)C(=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O3/c1-2-26-15(25)23-7-5-22(6-8-23)12-9-11(16(17,18)19)10-3-4-13(24)21-14(10)20-12/h3-4,9H,2,5-8H2,1H3,(H,20,21,24)