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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=CNCCCN4C=CN=C4)C2=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=CNCCCN4C=CN=C4)C2=O

InChI

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