(E)-2-cyano-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridylmethyl)acrylamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)/C=C(\C#N)/C(=O)NCC3=CN=CC=C3)OC

InChI

InChI=1S/C21H19N5O3/c1-28-18-6-5-15(9-19(18)29-2)20-17(13-25-26-20)8-16(10-22)21(27)24-12-14-4-3-7-23-11-14/h3-9,11,13H,12H2,1-2H3,(H,24,27)(H,25,26)/b16-8+