2-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-ylcarbonyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-ylcarbonyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholine-4-carbonyl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-[4-morpholinyl(oxo)methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholine-4-carbonyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 2-homoveratryl-6-(morpholine-4-carbonyl)benzo[de]isoquinoline-1,3-quinone Formula: C27H26N2O6 MolecularWeight: 474.50514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C4C(=C(C=C3)C(=O)N5CCOCC5)C=CC=C4C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C4C(=C(C=C3)C(=O)N5CCOCC5)C=CC=C4C2=O)OC

InChI

InChI=1S/C27H26N2O6/c1-33-22-9-6-17(16-23(22)34-2)10-11-29-26(31)20-5-3-4-18-19(7-8-21(24(18)20)27(29)32)25(30)28-12-14-35-15-13-28/h3-9,16H,10-15H2,1-2H3