4-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[3-(3-bromo-4-methoxy-phenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[3-(3-bromo-4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[3-(3-bromo-4-methoxy-phenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H21BrN2O4/c1-22-20(25)18-12-23(15-5-3-4-6-17(15)27-18)19(24)10-8-13-7-9-16(26-2)14(21)11-13/h3-7,9,11,18H,8,10,12H2,1-2H3,(H,22,25)