tert-butyl N-[1-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1-pyridin-3-yl-ethyl]carbamate

Systemtic Name: tert-butyl N-[1-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1-pyridin-3-yl-ethyl]carbamate Openeye Name: tert-butyl N-[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-(3-pyridyl)ethyl]carbamate CAS Name: N-[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-(3-pyridinyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-pyridin-3-ylethyl]carbamate Traditional Name: N-[1-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)-1-(3-pyridyl)ethyl]carbamic acid tert-butyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(C)(C3=CN=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)C(C)(C3=CN=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H25N3O4/c1-13-18(25)23-16-11-14(8-9-17(16)27-13)21(5,15-7-6-10-22-12-15)24-19(26)28-20(2,3)4/h6-13H,1-5H3,(H,23,25)(H,24,26)