2-cyano-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: N-benzyl-2-cyano-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylamide Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4O/c1-20-12-14-22(15-13-20)26-24(19-31(30-26)25-10-6-3-7-11-25)16-23(17-28)27(32)29-18-21-8-4-2-5-9-21/h2-16,19H,18H2,1H3,(H,29,32)