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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(azepane-1-carbonyl)-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 5-[1-azepanyl(oxo)methyl]-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 5-(azepane-1-carbonyl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(azepane-1-carbonyl)-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

InChI

InChI=1S/C20H24N2O4/c23-18(21-9-3-1-2-4-10-21)14-7-8-16-17(12-14)20(25)22(19(16)24)13-15-6-5-11-26-15/h7-8,12,15H,1-6,9-11,13H2