2-[(2-cyclohexylcarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-cyclohexylcarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[cyclohexyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C25H26N2O3 MolecularWeight: 402.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H26N2O3/c28-23(18-9-2-1-3-10-18)26-15-14-17-8-4-5-11-19(17)22(26)16-27-24(29)20-12-6-7-13-21(20)25(27)30/h4-8,11-13,18,22H,1-3,9-10,14-16H2