2-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-5-bromanyl-isoindole-1,3-dione

Systemtic Name: 2-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-5-bromanyl-isoindole-1,3-dione Openeye Name: 2-[4-(azepan-1-yl)-4-oxo-butyl]-5-bromo-isoindoline-1,3-dione CAS Name: 2-[4-(1-azepanyl)-4-oxobutyl]-5-bromoisoindole-1,3-dione IUPAC Name: 2-[4-(azepan-1-yl)-4-oxobutyl]-5-bromoisoindole-1,3-dione Traditional Name: 2-[4-(azepan-1-yl)-4-keto-butyl]-5-bromo-isoindoline-1,3-quinone Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H21BrN2O3/c19-13-7-8-14-15(12-13)18(24)21(17(14)23)11-5-6-16(22)20-9-3-1-2-4-10-20/h7-8,12H,1-6,9-11H2