5-methoxy-2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione

Systemtic Name: 5-methoxy-2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione Openeye Name: 5-methoxy-2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindoline-1,3-dione CAS Name: 5-methoxy-2-[4-(1-pyrrolidinyl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 5-methoxy-2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione Traditional Name: 5-methoxy-2-(4-pyrrolidinobut-2-ynyl)isoindoline-1,3-quinone Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C2=O)CC#CCN3CCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C2=O)CC#CCN3CCCC3

InChI

InChI=1S/C17H18N2O3/c1-22-13-6-7-14-15(12-13)17(21)19(16(14)20)11-5-4-10-18-8-2-3-9-18/h6-7,12H,2-3,8-11H2,1H3