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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=O)C3=CC=CC=C3C(=CNCCCN4CCOCC4)C2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=O)C3=CC=CC=C3C(=CNCCCN4CCOCC4)C2=O)C

InChI

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