N-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butyramide Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H23BrN2O4/c1-14-5-7-19-17(10-14)24(21(26)13-28-19)9-3-4-20(25)23-12-15-11-16(22)6-8-18(15)27-2/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,23,25)