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

Systemtic Name: ethyl 7-[3-(aminomethyl)pyrrol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylate Openeye Name: ethyl 7-[3-(aminomethyl)pyrrol-1-yl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylate CAS Name: 7-[3-(aminomethyl)-1-pyrrolyl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-(aminomethyl)pyrrol-1-yl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylate Traditional Name: 7-[3-(aminomethyl)pyrrol-1-yl]-3-keto-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid ethyl ester Formula: C17H17F3N4O3 MolecularWeight: 382.33709

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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=CC(=C3)CN

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O3/c1-2-27-16(26)14-15(25)23-11-5-10(17(18,19)20)13(6-12(11)22-14)24-4-3-9(7-21)8-24/h3-6,8,14,22H,2,7,21H2,1H3,(H,23,25)