4-azanyl-2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

InChI

InChI=1S/C22H18BrN3O3/c1-12-10-17(13(2)26(12)15-8-6-14(23)7-9-15)19(27)11-25-21(28)16-4-3-5-18(24)20(16)22(25)29/h3-10H,11,24H2,1-2H3