2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-bromanyl-isoindole-1,3-dione

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-bromanyl-isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-5-bromo-isoindoline-1,3-dione CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-5-bromoisoindole-1,3-dione IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-5-bromoisoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-5-bromo-isoindoline-1,3-quinone Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C16H17BrN2O3/c17-11-5-6-12-13(9-11)16(22)19(15(12)21)10-14(20)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2