2-[1-(azepan-1-yl)-3-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(azepan-1-yl)-3-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-1-[(4-bromophenyl)methyl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-3-(4-bromophenyl)-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-3-(4-bromophenyl)-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-1-(4-bromobenzyl)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=C(C=C2)Br)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=C(C=C2)Br)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23BrN2O3/c24-17-11-9-16(10-12-17)15-20(23(29)25-13-5-1-2-6-14-25)26-21(27)18-7-3-4-8-19(18)22(26)28/h3-4,7-12,20H,1-2,5-6,13-15H2