4-hexadecan-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-hexadecan-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-(1-methylpentadecyl)-4H-isoquinoline-1,3-dione CAS Name: 4-hexadecan-2-yl-4H-isoquinoline-1,3-dione IUPAC Name: 4-hexadecan-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-(1-methylpentadecyl)-4H-isoquinoline-1,3-quinone Formula: C25H39NO2 MolecularWeight: 385.58266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)C1C2=CC=CC=C2C(=O)NC1=O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)C1C2=CC=CC=C2C(=O)NC1=O

InChI

InChI=1S/C25H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20(2)23-21-18-15-16-19-22(21)24(27)26-25(23)28/h15-16,18-20,23H,3-14,17H2,1-2H3,(H,26,27,28)