2-[3-(azepan-1-ylcarbonyl)phenyl]-5-bromanyl-isoindole-1,3-dione

Systemtic Name: 2-[3-(azepan-1-ylcarbonyl)phenyl]-5-bromanyl-isoindole-1,3-dione Openeye Name: 2-[3-(azepane-1-carbonyl)phenyl]-5-bromo-isoindoline-1,3-dione CAS Name: 2-[3-[1-azepanyl(oxo)methyl]phenyl]-5-bromoisoindole-1,3-dione IUPAC Name: 2-[3-(azepane-1-carbonyl)phenyl]-5-bromoisoindole-1,3-dione Traditional Name: 2-[3-(azepane-1-carbonyl)phenyl]-5-bromo-isoindoline-1,3-quinone Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN2O3/c22-15-8-9-17-18(13-15)21(27)24(20(17)26)16-7-5-6-14(12-16)19(25)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11H2