(5S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenyl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenyl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-phenyl-pyrrolidine-2,3-dione CAS Name: (5S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-hydroxymethylidene]-1-[3-(1-imidazolyl)propyl]-5-phenylpyrrolidine-2,3-dione IUPAC Name: (5S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-phenyl-pyrrolidine-2,3-quinone Formula: C22H23N5O3 MolecularWeight: 405.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C(=NN1)C)C(=C2[C@@H](N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H23N5O3/c1-14-17(15(2)25-24-14)20(28)18-19(16-7-4-3-5-8-16)27(22(30)21(18)29)11-6-10-26-12-9-23-13-26/h3-5,7-9,12-13,19,28H,6,10-11H2,1-2H3,(H,24,25)/t19-/m0/s1