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

Systemtic Name: 5-bromanyl-2-[4-oxidanylidene-4-(4-phenylmethoxypiperidin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzyloxy-1-piperidyl)-4-oxo-butyl]-5-bromo-isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-oxo-4-(4-phenylmethoxy-1-piperidinyl)butyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-oxo-4-(4-phenylmethoxypiperidin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzoxypiperidino)-4-keto-butyl]-5-bromo-isoindoline-1,3-quinone Formula: C24H25BrN2O4 MolecularWeight: 485.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C24H25BrN2O4/c25-18-8-9-20-21(15-18)24(30)27(23(20)29)12-4-7-22(28)26-13-10-19(11-14-26)31-16-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2