(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-N-(pyridin-4-ylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridylmethyl)acrylamide Formula: C25H19N5O MolecularWeight: 405.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H19N5O/c26-16-21(25(31)28-17-19-11-13-27-14-12-19)15-22-18-30(23-9-5-2-6-10-23)29-24(22)20-7-3-1-4-8-20/h1-15,18H,17H2,(H,28,31)/b21-15+