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

Systemtic Name: 5-bromanyl-2-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-keto-3-(4-phenylpiperazino)propyl]isoindoline-1,3-quinone Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O3/c22-15-6-7-17-18(14-15)21(28)25(20(17)27)9-8-19(26)24-12-10-23(11-13-24)16-4-2-1-3-5-16/h1-7,14H,8-13H2