7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-cinnoline-3-carboxylate

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-cinnoline-3-carboxylate Openeye Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-cinnoline-3-carboxylate CAS Name: 7-[3-(aminomethyl)-1-pyrrolidinyl]-1-ethyl-6-fluoro-4-oxo-3-cinnolinecarboxylate IUPAC Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxocinnoline-3-carboxylate Traditional Name: 7-[3-(aminomethyl)pyrrolidino]-1-ethyl-6-fluoro-4-keto-cinnoline-3-carboxylate Formula: C16H18FN4O3- MolecularWeight: 333.337523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)[O-])F)N3CCC(C3)CN

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)[O-])F)N3CCC(C3)CN

InChI

InChI=1S/C16H19FN4O3/c1-2-21-12-6-13(20-4-3-9(7-18)8-20)11(17)5-10(12)15(22)14(19-21)16(23)24/h5-6,9H,2-4,7-8,18H2,1H3,(H,23,24)/p-1