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

Systemtic Name: (E)-2-cyano-3-[1-(phenylmethyl)-4-pyridin-3-yl-pyrazol-3-yl]-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-3-[1-benzyl-4-(3-pyridyl)pyrazol-3-yl]-2-cyano-N-isopropyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-4-(3-pyridinyl)-3-pyrazolyl]-N-propan-2-yl-2-propenamide IUPAC Name: (E)-3-(1-benzyl-4-pyridin-3-ylpyrazol-3-yl)-2-cyano-N-propan-2-ylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-4-(3-pyridyl)pyrazol-3-yl]-2-cyano-N-isopropyl-acrylamide Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O/c1-16(2)25-22(28)19(12-23)11-21-20(18-9-6-10-24-13-18)15-27(26-21)14-17-7-4-3-5-8-17/h3-11,13,15-16H,14H2,1-2H3,(H,25,28)/b19-11+