4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(3-imidazol-1-ylpropylamino)methylene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione CAS Name: 4-[[3-(1-imidazolyl)propylamino]methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione Traditional Name: 4-[(3-imidazol-1-ylpropylamino)methylene]-2-(2-methoxyphenyl)isoquinoline-1,3-quinone Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CNCCCN4C=CN=C4)C2=O

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CNCCCN4C=CN=C4)C2=O

InChI

InChI=1S/C23H22N4O3/c1-30-21-10-5-4-9-20(21)27-22(28)18-8-3-2-7-17(18)19(23(27)29)15-24-11-6-13-26-14-12-25-16-26/h2-5,7-10,12,14-16,24H,6,11,13H2,1H3