3-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C(=O)NN=C1/C=C/C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C25H19N5O3/c1-16-20(14-26)25(31)28-27-21(16)9-7-18-15-30(19-5-3-2-4-6-19)29-24(18)17-8-10-22-23(13-17)33-12-11-32-22/h2-10,13,15H,11-12H2,1H3,(H,28,31)/b9-7+