5-azanyl-3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(/C#N)\C2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C22H19N5O3/c1-28-18-10-14(11-19(29-2)21(18)30-3)9-15(12-23)20-17(13-24)22(25)27(26-20)16-7-5-4-6-8-16/h4-11H,25H2,1-3H3/b15-9-