1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-N-[1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-N-[1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-oxo-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrrolidine-3-carboxamide CAS Name: 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrrolidine-3-carboxamide Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-keto-N-[1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]pyrrolidine-3-carboxamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC(C)C3=CC4=C(C=C3)OCC(=O)N4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC(C)C3=CC4=C(C=C3)OCC(=O)N4)Br

InChI

InChI=1S/C22H22BrN3O4/c1-12-7-16(4-5-17(12)23)26-10-15(9-21(26)28)22(29)24-13(2)14-3-6-19-18(8-14)25-20(27)11-30-19/h3-8,13,15H,9-11H2,1-2H3,(H,24,29)(H,25,27)