2-(1-cyclohexylhept-2-ynyl)isoindole-1,3-dione

Systemtic Name: 2-(1-cyclohexylhept-2-ynyl)isoindole-1,3-dione Openeye Name: 2-(1-cyclohexylhept-2-ynyl)isoindoline-1,3-dione CAS Name: 2-(1-cyclohexylhept-2-ynyl)isoindole-1,3-dione IUPAC Name: 2-(1-cyclohexylhept-2-ynyl)isoindole-1,3-dione Traditional Name: 2-(1-cyclohexylhept-2-ynyl)isoindoline-1,3-quinone Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C1CCCCC1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC#CC(C1CCCCC1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25NO2/c1-2-3-4-8-15-19(16-11-6-5-7-12-16)22-20(23)17-13-9-10-14-18(17)21(22)24/h9-10,13-14,16,19H,2-7,11-12H2,1H3