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

Systemtic Name: (E)-2-cyano-N-cyclohexyl-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-cyclohexyl-prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-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-cyclohexylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-cyclohexyl-acrylamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H25N5O/c26-15-21(25(31)28-23-11-5-2-6-12-23)14-22-18-30(17-19-8-3-1-4-9-19)29-24(22)20-10-7-13-27-16-20/h1,3-4,7-10,13-14,16,18,23H,2,5-6,11-12,17H2,(H,28,31)/b21-14+