[2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C20H18BrN3O3/c1-12-9-23-18(10-22-12)20(26)27-11-19(25)17-7-13(2)24(14(17)3)16-6-4-5-15(21)8-16/h4-10H,11H2,1-3H3