4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(3-morpholinopropylamino)methylene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione CAS Name: 4-[[3-(4-morpholinyl)propylamino]methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione Traditional Name: 2-mesityl-4-[(3-morpholinopropylamino)methylene]isoquinoline-1,3-quinone Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=O)C3=CC=CC=C3C(=CNCCCN4CCOCC4)C2=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=O)C3=CC=CC=C3C(=CNCCCN4CCOCC4)C2=O)C

InChI

InChI=1S/C26H31N3O3/c1-18-15-19(2)24(20(3)16-18)29-25(30)22-8-5-4-7-21(22)23(26(29)31)17-27-9-6-10-28-11-13-32-14-12-28/h4-5,7-8,15-17,27H,6,9-14H2,1-3H3