2,6-bis(4-piperidin-1-ylbut-2-ynyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Systemtic Name: 2,6-bis(4-piperidin-1-ylbut-2-ynyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Openeye Name: 2,6-bis[4-(1-piperidyl)but-2-ynyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone CAS Name: 2,6-bis[4-(1-piperidinyl)but-2-ynyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone IUPAC Name: 2,6-bis(4-piperidin-1-ylbut-2-ynyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Traditional Name: 2,6-bis(4-piperidinobut-2-ynyl)pyrrol[3,4-f]isoindole-1,3,5,7-diquinone Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC#CCN5CCCCC5

Isomeric SMILES

C1CCN(CC1)CC#CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC#CCN5CCCCC5

InChI

InChI=1S/C28H30N4O4/c33-25-21-19-23-24(28(36)32(27(23)35)18-10-8-16-30-13-5-2-6-14-30)20-22(21)26(34)31(25)17-9-7-15-29-11-3-1-4-12-29/h19-20H,1-6,11-18H2