2-[6-(azepan-1-ylcarbonyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[6-(azepan-1-ylcarbonyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-phenyl-ethanamide Openeye Name: 2-[6-(azepane-1-carbonyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-phenyl-acetamide CAS Name: 2-[6-[1-azepanyl(oxo)methyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-phenylacetamide IUPAC Name: 2-[6-(azepane-1-carbonyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-phenylacetamide Traditional Name: 2-[6-(azepane-1-carbonyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]-N-phenyl-acetamide Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)N3CCCCCC3)CC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)N3CCCCCC3)CC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3O4/c1-25(2)24(31)28(17-22(29)26-19-10-6-5-7-11-19)20-16-18(12-13-21(20)32-25)23(30)27-14-8-3-4-9-15-27/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,26,29)