2-[4-[(2-tert-butyl-5-methoxy-6-methyl-quinolin-8-yl)amino]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2-tert-butyl-5-methoxy-6-methyl-quinolin-8-yl)amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2-tert-butyl-5-methoxy-6-methyl-8-quinolyl)amino]pentyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2-tert-butyl-5-methoxy-6-methyl-8-quinolinyl)amino]pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2-tert-butyl-5-methoxy-6-methylquinolin-8-yl)amino]pentyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2-tert-butyl-5-methoxy-6-methyl-8-quinolyl)amino]pentyl]isoindoline-1,3-quinone Formula: C28H33N3O3 MolecularWeight: 459.57992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1OC)C=CC(=N2)C(C)(C)C)NC(C)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C2C(=C1OC)C=CC(=N2)C(C)(C)C)NC(C)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H33N3O3/c1-17-16-22(24-21(25(17)34-6)13-14-23(30-24)28(3,4)5)29-18(2)10-9-15-31-26(32)19-11-7-8-12-20(19)27(31)33/h7-8,11-14,16,18,29H,9-10,15H2,1-6H3