2-(3,5-dimethylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(3,5-dimethylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(3,5-dimethylphenyl)-4-[(3-morpholinopropylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(3,5-dimethylphenyl)-4-[[3-(4-morpholinyl)propylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3,5-dimethylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(3,5-dimethylphenyl)-4-[(3-morpholinopropylamino)methylene]isoquinoline-1,3-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-18-14-19(2)16-20(15-18)28-24(29)22-7-4-3-6-21(22)23(25(28)30)17-26-8-5-9-27-10-12-31-13-11-27/h3-4,6-7,14-17,26H,5,8-13H2,1-2H3