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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=CCN1C(=O)NC2=C(C=C3C(=C2)N(C(=O)CO3)CC4=CC=CC=N4)F

Isomeric SMILES

CCOC(=O)N1CC=CCN1C(=O)NC2=C(C=C3C(=C2)N(C(=O)CO3)CC4=CC=CC=N4)F

InChI

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