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

Systemtic Name: (4Z)-4-[(3-imidazol-1-ylpropylamino)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Openeye Name: (4Z)-4-[(3-imidazol-1-ylpropylamino)methylene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione CAS Name: (4Z)-4-[[3-(1-imidazolyl)propylamino]methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[(3-imidazol-1-ylpropylamino)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Traditional Name: (4Z)-4-[(3-imidazol-1-ylpropylamino)methylene]-2-p-anisyl-isoquinoline-1,3-quinone Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CNCCCN4C=CN=C4)C2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3/C(=C/NCCCN4C=CN=C4)/C2=O

InChI

InChI=1S/C24H24N4O3/c1-31-19-9-7-18(8-10-19)16-28-23(29)21-6-3-2-5-20(21)22(24(28)30)15-25-11-4-13-27-14-12-26-17-27/h2-3,5-10,12,14-15,17,25H,4,11,13,16H2,1H3/b22-15-