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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CC1NC(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H19N5O/c23-12-18(22(28)25-20-8-9-20)11-19-15-27(14-16-5-2-1-3-6-16)26-21(19)17-7-4-10-24-13-17/h1-7,10-11,13,15,20H,8-9,14H2,(H,25,28)/b18-11+