(4E)-1-phenyl-4-[(8-propoxyisoquinolin-5-yl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: (4E)-1-phenyl-4-[(8-propoxyisoquinolin-5-yl)methylidene]pyrazolidine-3,5-dione Openeye Name: (4E)-1-phenyl-4-[(8-propoxy-5-isoquinolyl)methylene]pyrazolidine-3,5-dione CAS Name: (4E)-1-phenyl-4-[(8-propoxy-5-isoquinolinyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: (4E)-1-phenyl-4-[(8-propoxyisoquinolin-5-yl)methylidene]pyrazolidine-3,5-dione Traditional Name: (4E)-1-phenyl-4-[(8-propoxy-5-isoquinolyl)methylene]pyrazolidine-3,5-quinone Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C=NC=CC2=C(C=C1)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=C2C=NC=CC2=C(C=C1)/C=C/3\C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3/c1-2-12-28-20-9-8-15(17-10-11-23-14-19(17)20)13-18-21(26)24-25(22(18)27)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3,(H,24,26)/b18-13+