5-bromanyl-2-[3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-[4-(4-fluorobenzoyl)piperazino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C22H19BrFN3O4 MolecularWeight: 488.306363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19BrFN3O4/c23-15-3-6-17-18(13-15)22(31)27(21(17)30)8-7-19(28)25-9-11-26(12-10-25)20(29)14-1-4-16(24)5-2-14/h1-6,13H,7-12H2