3-[(E)-2-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=CC3=NNC(=O)C(=C3C)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C/C3=NNC(=O)C(=C3C)C#N

InChI

InChI=1S/C20H22N6O/c1-12(2)26-19(8-9-22-26)25-13(3)10-16(15(25)5)6-7-18-14(4)17(11-21)20(27)24-23-18/h6-10,12H,1-5H3,(H,24,27)/b7-6+