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

Systemtic Name: 2-(2,6-diethylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,6-diethylphenyl)-4-[(3-morpholinopropylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(2,6-diethylphenyl)-4-[[3-(4-morpholinyl)propylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,6-diethylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,6-diethylphenyl)-4-[(3-morpholinopropylamino)methylene]isoquinoline-1,3-quinone Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3=CC=CC=C3C(=CNCCCN4CCOCC4)C2=O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3=CC=CC=C3C(=CNCCCN4CCOCC4)C2=O

InChI

InChI=1S/C27H33N3O3/c1-3-20-9-7-10-21(4-2)25(20)30-26(31)23-12-6-5-11-22(23)24(27(30)32)19-28-13-8-14-29-15-17-33-18-16-29/h5-7,9-12,19,28H,3-4,8,13-18H2,1-2H3