(4E)-4-[(3-imidazol-1-ylpropylamino)methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(3-imidazol-1-ylpropylamino)methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: (4E)-4-[(3-imidazol-1-ylpropylamino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: (4E)-4-[[3-(1-imidazolyl)propylamino]methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(3-imidazol-1-ylpropylamino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: (4E)-4-[(3-imidazol-1-ylpropylamino)methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNCCCN3C=CN=C3)C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\NCCCN3C=CN=C3)/C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H19N5O2/c27-20-17-7-2-1-6-16(17)18(14-22-9-5-12-25-13-11-23-15-25)21(28)26(20)19-8-3-4-10-24-19/h1-4,6-8,10-11,13-15,22H,5,9,12H2/b18-14+