(4E)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[[2-(1-pyrrolidinyl)-5-pyrimidinyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-[(2-pyrrolidinopyrimidin-5-yl)methylene]isoquinoline-1,3-quinone Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=N2)C=C3C4=CC=CC=C4C(=O)NC3=O

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=N2)/C=C/3\C4=CC=CC=C4C(=O)NC3=O

InChI

InChI=1S/C18H16N4O2/c23-16-14-6-2-1-5-13(14)15(17(24)21-16)9-12-10-19-18(20-11-12)22-7-3-4-8-22/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23,24)/b15-9+