2-[2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[2-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[2-[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C(=O)CN3C(=O)C(=C(C(=N3)C)C)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C(=O)CN3C(=O)C(=C(C(=N3)C)C)C#N

InChI

InChI=1S/C22H21BrN4O2/c1-12-8-17(6-7-20(12)23)27-13(2)9-18(16(27)5)21(28)11-26-22(29)19(10-24)14(3)15(4)25-26/h6-9H,11H2,1-5H3