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

Systemtic Name: 2-(2,6-dimethylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,6-dimethylphenyl)-4-[(3-morpholinopropylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(2,6-dimethylphenyl)-4-[[3-(4-morpholinyl)propylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,6-dimethylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,6-dimethylphenyl)-4-[(3-morpholinopropylamino)methylene]isoquinoline-1,3-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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