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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O4/c1-30-17-5-2-15(3-6-17)13-24-8-10-25(11-9-24)20(27)14-26-21(28)18-7-4-16(23)12-19(18)22(26)29/h2-7,12H,8-11,13-14H2,1H3