ethyl 2-[[7-fluoranyl-3-oxidanylidene-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]-methanoyl-amino]-3,6-dihydropyridazine-1-carboxylate

Systemtic Name: ethyl 2-[[7-fluoranyl-3-oxidanylidene-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]-methanoyl-amino]-3,6-dihydropyridazine-1-carboxylate Openeye Name: ethyl 2-[[7-fluoro-3-oxo-4-(2-pyridylmethyl)-1,4-benzoxazin-6-yl]-formyl-amino]-3,6-dihydropyridazine-1-carboxylate CAS Name: 2-[[7-fluoro-3-oxo-4-(2-pyridinylmethyl)-1,4-benzoxazin-6-yl]-formylamino]-3,6-dihydropyridazine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[7-fluoro-3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]-formylamino]-3,6-dihydropyridazine-1-carboxylate Traditional Name: 2-[[7-fluoro-3-keto-4-(2-pyridylmethyl)-1,4-benzoxazin-6-yl]-formyl-amino]-3,6-dihydropyridazine-1-carboxylic acid ethyl ester Formula: C22H22FN5O5 MolecularWeight: 455.438983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=CCN1N(C=O)C2=C(C=C3C(=C2)N(C(=O)CO3)CC4=CC=CC=N4)F

Isomeric SMILES

CCOC(=O)N1CC=CCN1N(C=O)C2=C(C=C3C(=C2)N(C(=O)CO3)CC4=CC=CC=N4)F

InChI

InChI=1S/C22H22FN5O5/c1-2-32-22(31)26-9-5-6-10-28(26)27(15-29)18-12-19-20(11-17(18)23)33-14-21(30)25(19)13-16-7-3-4-8-24-16/h3-8,11-12,15H,2,9-10,13-14H2,1H3