(5S)-1-(2-dimethylaminoethyl)-4-[(5-fluoranyl-2-methoxy-phenyl)-oxidanyl-methylidene]-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-1-(2-dimethylaminoethyl)-4-[(5-fluoranyl-2-methoxy-phenyl)-oxidanyl-methylidene]-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-1-(2-dimethylaminoethyl)-4-[(5-fluoro-2-methoxy-phenyl)-hydroxy-methylene]-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-1-(2-dimethylaminoethyl)-4-[(5-fluoro-2-methoxyphenyl)-hydroxymethylidene]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-1-(2-dimethylaminoethyl)-4-[(5-fluoro-2-methoxyphenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (5S)-1-(2-dimethylaminoethyl)-4-[(5-fluoro-2-methoxy-phenyl)-hydroxy-methylene]-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(C(=C(C2=C(C=CC(=C2)F)OC)O)C(=O)C1=O)C3=CN=CC=C3

Isomeric SMILES

CN(C)CCN1[C@H](C(=C(C2=C(C=CC(=C2)F)OC)O)C(=O)C1=O)C3=CN=CC=C3

InChI

InChI=1S/C21H22FN3O4/c1-24(2)9-10-25-18(13-5-4-8-23-12-13)17(20(27)21(25)28)19(26)15-11-14(22)6-7-16(15)29-3/h4-8,11-12,18,26H,9-10H2,1-3H3/t18-/m0/s1