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

Systemtic Name: 5-azanyl-3-[(E)-1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(E)-1-cyano-2-(3,4-dimethoxyphenyl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(E)-1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(E)-1-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(E)-1-cyano-2-(3,4-dimethoxyphenyl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C17H17N5O3 MolecularWeight: 339.34858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C#N)\C2=NN(C(=C2C#N)N)CCO)OC

InChI

InChI=1S/C17H17N5O3/c1-24-14-4-3-11(8-15(14)25-2)7-12(9-18)16-13(10-19)17(20)22(21-16)5-6-23/h3-4,7-8,23H,5-6,20H2,1-2H3/b12-7-