2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]isoindole-1,3-dione Openeye Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]isoindoline-1,3-quinone Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C26H28N2O2/c1-5-27(17-10-6-9-16-26(2,3)4)19-20-12-11-13-21(18-20)28-24(29)22-14-7-8-15-23(22)25(28)30/h6-8,10-15,18H,5,17,19H2,1-4H3/b10-6+