3-[(5R)-5-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazolidin-3-ylidene]-1-methyl-quinoline-2,4-dione

Systemtic Name: 3-[(5R)-5-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazolidin-3-ylidene]-1-methyl-quinoline-2,4-dione Openeye Name: 3-[(5R)-5-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazolidin-3-ylidene]-1-methyl-quinoline-2,4-dione CAS Name: 3-[(5R)-5-(1,3-benzodioxol-5-yl)-1-phenyl-3-pyrazolidinylidene]-1-methylquinoline-2,4-dione IUPAC Name: 3-[(5R)-5-(1,3-benzodioxol-5-yl)-1-phenylpyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione Traditional Name: 3-[(5R)-5-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazolidin-3-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3CC(N(N3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C3C[C@@H](N(N3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)C1=O

InChI

InChI=1S/C26H21N3O4/c1-28-20-10-6-5-9-18(20)25(30)24(26(28)31)19-14-21(29(27-19)17-7-3-2-4-8-17)16-11-12-22-23(13-16)33-15-32-22/h2-13,21,27H,14-15H2,1H3/t21-/m1/s1