ethyl 7-[4-(aminomethyl)imidazol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylate

Systemtic Name: ethyl 7-[4-(aminomethyl)imidazol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylate Openeye Name: ethyl 7-[4-(aminomethyl)imidazol-1-yl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylate CAS Name: 7-[4-(aminomethyl)-1-imidazolyl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(aminomethyl)imidazol-1-yl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylate Traditional Name: 7-[4-(aminomethyl)imidazol-1-yl]-3-keto-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid ethyl ester Formula: C16H16F3N5O3 MolecularWeight: 383.32515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NC2=C(N1)C=C(C(=C2)C(F)(F)F)N3C=C(N=C3)CN

Isomeric SMILES

CCOC(=O)C1C(=O)NC2=C(N1)C=C(C(=C2)C(F)(F)F)N3C=C(N=C3)CN

InChI

InChI=1S/C16H16F3N5O3/c1-2-27-15(26)13-14(25)23-10-3-9(16(17,18)19)12(4-11(10)22-13)24-6-8(5-20)21-7-24/h3-4,6-7,13,22H,2,5,20H2,1H3,(H,23,25)