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

Systemtic Name: 2-[4-[(2-tert-butyl-6-methoxy-quinolin-8-yl)amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2-tert-butyl-6-methoxy-8-quinolyl)amino]pentyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2-tert-butyl-6-methoxy-8-quinolinyl)amino]pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2-tert-butyl-6-methoxy-8-quinolyl)amino]pentyl]isoindoline-1,3-quinone Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=C4C(=CC(=C3)OC)C=CC(=N4)C(C)(C)C

Isomeric SMILES

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=C4C(=CC(=C3)OC)C=CC(=N4)C(C)(C)C

InChI

InChI=1S/C27H31N3O3/c1-17(9-8-14-30-25(31)20-10-6-7-11-21(20)26(30)32)28-22-16-19(33-5)15-18-12-13-23(27(2,3)4)29-24(18)22/h6-7,10-13,15-17,28H,8-9,14H2,1-5H3