2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enamide Traditional Name: N-benzyl-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]acrylamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O2/c1-27-19-9-7-16(8-10-19)20-18(14-24-25-20)11-17(12-22)21(26)23-13-15-5-3-2-4-6-15/h2-11,14H,13H2,1H3,(H,23,26)(H,24,25)