(E)-2-cyano-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[5-(p-tolyl)-1H-pyrazol-4-yl]-N-(4-pyridylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[5-(p-tolyl)-1H-pyrazol-4-yl]-N-(4-pyridylmethyl)acrylamide Formula: C20H17N5O MolecularWeight: 343.38188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)/C=C(\C#N)/C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C20H17N5O/c1-14-2-4-16(5-3-14)19-18(13-24-25-19)10-17(11-21)20(26)23-12-15-6-8-22-9-7-15/h2-10,13H,12H2,1H3,(H,23,26)(H,24,25)/b17-10+