5-bromanyl-2-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[1-[4-(3-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[2-keto-2-[4-(3-methoxyphenyl)piperazino]-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)OC)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)OC)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O4/c1-14(26-21(28)18-7-6-15(23)12-19(18)22(26)29)20(27)25-10-8-24(9-11-25)16-4-3-5-17(13-16)30-2/h3-7,12-14H,8-11H2,1-2H3