2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H18N2O3/c19-14(17-9-5-1-2-6-10-17)11-18-15(20)12-7-3-4-8-13(12)16(18)21/h3-4,7-8H,1-2,5-6,9-11H2