(E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-acrylamide Formula: C22H19N5O MolecularWeight: 369.41916

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

C=CCNC(=O)/C(=C/C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H19N5O/c1-2-10-25-22(28)19(13-23)12-20-16-27(15-17-7-4-3-5-8-17)26-21(20)18-9-6-11-24-14-18/h2-9,11-12,14,16H,1,10,15H2,(H,25,28)/b19-12+