2-[3-oxidanylidene-1-(3-phenylpropyl)-2H-pyrrol-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[3-oxidanylidene-1-(3-phenylpropyl)-2H-pyrrol-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-oxo-1-(3-phenylpropyl)-2H-pyrrol-2-yl]isoindoline-1,3-dione CAS Name: 2-[3-oxo-1-(3-phenylpropyl)-2H-pyrrol-2-yl]isoindole-1,3-dione IUPAC Name: 2-[3-oxo-1-(3-phenylpropyl)-2H-pyrrol-2-yl]isoindole-1,3-dione Traditional Name: 2-[3-keto-1-(3-phenylpropyl)-2-pyrrolin-2-yl]isoindoline-1,3-quinone Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=CC(=O)C2N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=CC(=O)C2N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O3/c24-18-12-14-22(13-6-9-15-7-2-1-3-8-15)19(18)23-20(25)16-10-4-5-11-17(16)21(23)26/h1-5,7-8,10-12,14,19H,6,9,13H2