3-heptyl-7-methyl-7-oxidanyl-2-(phenylmethyl)isoquinoline-6,8-dione

Systemtic Name: 3-heptyl-7-methyl-7-oxidanyl-2-(phenylmethyl)isoquinoline-6,8-dione Openeye Name: 2-benzyl-3-heptyl-7-hydroxy-7-methyl-isoquinoline-6,8-dione CAS Name: 3-heptyl-7-hydroxy-7-methyl-2-(phenylmethyl)isoquinoline-6,8-dione IUPAC Name: 2-benzyl-3-heptyl-7-hydroxy-7-methylisoquinoline-6,8-dione Traditional Name: 2-benzyl-3-heptyl-7-hydroxy-7-methyl-isoquinoline-6,8-quinone Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(C)O

Isomeric SMILES

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(C)O

InChI

InChI=1S/C24H29NO3/c1-3-4-5-6-10-13-20-14-19-15-22(26)24(2,28)23(27)21(19)17-25(20)16-18-11-8-7-9-12-18/h7-9,11-12,14-15,17,28H,3-6,10,13,16H2,1-2H3