2-[(2,3,4,5,6-pentamethylphenyl)methyl]-3H-isoquinoline-1,4-dione

Systemtic Name: 2-[(2,3,4,5,6-pentamethylphenyl)methyl]-3H-isoquinoline-1,4-dione Openeye Name: 2-[(2,3,4,5,6-pentamethylphenyl)methyl]-3H-isoquinoline-1,4-dione CAS Name: 2-[(2,3,4,5,6-pentamethylphenyl)methyl]-3H-isoquinoline-1,4-dione IUPAC Name: 2-[(2,3,4,5,6-pentamethylphenyl)methyl]-3H-isoquinoline-1,4-dione Traditional Name: 2-(2,3,4,5,6-pentamethylbenzyl)-3H-isoquinoline-1,4-quinone Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CN2CC(=O)C3=CC=CC=C3C2=O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CN2CC(=O)C3=CC=CC=C3C2=O)C)C

InChI

InChI=1S/C21H23NO2/c1-12-13(2)15(4)19(16(5)14(12)3)10-22-11-20(23)17-8-6-7-9-18(17)21(22)24/h6-9H,10-11H2,1-5H3