(E)-2-cyano-N-cyclopropyl-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-cyclopropyl-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-N-cyclopropyl-prop-2-enamide CAS Name: (E)-2-cyano-N-cyclopropyl-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-N-cyclopropyl-acrylamide Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H24N4O3/c1-31-22-11-8-18(13-23(22)32-2)24-20(12-19(14-26)25(30)27-21-9-10-21)16-29(28-24)15-17-6-4-3-5-7-17/h3-8,11-13,16,21H,9-10,15H2,1-2H3,(H,27,30)/b19-12+