N-(4-bromanyl-3-methyl-phenyl)-4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butyramide Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C20H21BrN2O3/c1-13-5-8-18-17(10-13)23(20(25)12-26-18)9-3-4-19(24)22-15-6-7-16(21)14(2)11-15/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,24)