2-[4,4-bis(1H-pyrrol-2-yl)pentyl]isoindole-1,3-dione

Systemtic Name: 2-[4,4-bis(1H-pyrrol-2-yl)pentyl]isoindole-1,3-dione Openeye Name: 2-[4,4-bis(1H-pyrrol-2-yl)pentyl]isoindoline-1,3-dione CAS Name: 2-[4,4-bis(1H-pyrrol-2-yl)pentyl]isoindole-1,3-dione IUPAC Name: 2-[4,4-bis(1H-pyrrol-2-yl)pentyl]isoindole-1,3-dione Traditional Name: 2-[4,4-bis(1H-pyrrol-2-yl)pentyl]isoindoline-1,3-quinone Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)(C3=CC=CN3)C4=CC=CN4

Isomeric SMILES

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)(C3=CC=CN3)C4=CC=CN4

InChI

InChI=1S/C21H21N3O2/c1-21(17-9-4-12-22-17,18-10-5-13-23-18)11-6-14-24-19(25)15-7-2-3-8-16(15)20(24)26/h2-5,7-10,12-13,22-23H,6,11,14H2,1H3