3-bromanyl-N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]benzamide Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)CNC(=O)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)CNC(=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H23BrN2O4/c1-27-16-8-9-17(19(12-16)28-2)18-7-4-10-24(18)20(25)13-23-21(26)14-5-3-6-15(22)11-14/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3,(H,23,26)