5-(azepan-1-ylcarbonyl)-2-cyclohexyl-isoindole-1,3-dione

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-cyclohexyl-isoindole-1,3-dione Openeye Name: 5-(azepane-1-carbonyl)-2-cyclohexyl-isoindoline-1,3-dione CAS Name: 5-[1-azepanyl(oxo)methyl]-2-cyclohexylisoindole-1,3-dione IUPAC Name: 5-(azepane-1-carbonyl)-2-cyclohexylisoindole-1,3-dione Traditional Name: 5-(azepane-1-carbonyl)-2-cyclohexyl-isoindoline-1,3-quinone Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C21H26N2O3/c24-19(22-12-6-1-2-7-13-22)15-10-11-17-18(14-15)21(26)23(20(17)25)16-8-4-3-5-9-16/h10-11,14,16H,1-9,12-13H2