2-(pyren-1-ylmethyl)isoindole-1,3-dione

Systemtic Name: 2-(pyren-1-ylmethyl)isoindole-1,3-dione Openeye Name: 2-(pyren-1-ylmethyl)isoindoline-1,3-dione CAS Name: 2-(1-pyrenylmethyl)isoindole-1,3-dione IUPAC Name: 2-(pyren-1-ylmethyl)isoindole-1,3-dione Traditional Name: 2-(pyren-1-ylmethyl)isoindoline-1,3-quinone Formula: C25H15NO2 MolecularWeight: 361.3921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C25H15NO2/c27-24-20-6-1-2-7-21(20)25(28)26(24)14-18-11-10-17-9-8-15-4-3-5-16-12-13-19(18)23(17)22(15)16/h1-13H,14H2