5-butyl-4-[methyl(prop-2-ynyl)amino]isoindole-1,3-dione

Systemtic Name: 5-butyl-4-[methyl(prop-2-ynyl)amino]isoindole-1,3-dione Openeye Name: 5-butyl-4-[methyl(prop-2-ynyl)amino]isoindoline-1,3-dione CAS Name: 5-butyl-4-[methyl(prop-2-ynyl)amino]isoindole-1,3-dione IUPAC Name: 5-butyl-4-[methyl(prop-2-ynyl)amino]isoindole-1,3-dione Traditional Name: 5-butyl-4-[methyl(propargyl)amino]isoindoline-1,3-quinone Formula: C16H18N2O2 MolecularWeight: 270.32632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C1)C(=O)NC2=O)N(C)CC#C

Isomeric SMILES

CCCCC1=C(C2=C(C=C1)C(=O)NC2=O)N(C)CC#C

InChI

InChI=1S/C16H18N2O2/c1-4-6-7-11-8-9-12-13(16(20)17-15(12)19)14(11)18(3)10-5-2/h2,8-9H,4,6-7,10H2,1,3H3,(H,17,19,20)