2-[2,6-di(propan-2-yl)phenyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2,6-di(propan-2-yl)phenyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(2,6-diisopropylphenyl)-4H-isoquinoline-1,3-dione CAS Name: 2-[2,6-di(propan-2-yl)phenyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2,6-di(propan-2-yl)phenyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(2,6-diisopropylphenyl)-4H-isoquinoline-1,3-quinone Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H23NO2/c1-13(2)16-10-7-11-17(14(3)4)20(16)22-19(23)12-15-8-5-6-9-18(15)21(22)24/h5-11,13-14H,12H2,1-4H3