(E)-2-cyano-3-[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-methoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-methoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(3-pyridylmethyl)acrylamide Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N5O2/c1-19-13-24(34-2)10-11-25(19)26-22(18-32(31-26)23-8-4-3-5-9-23)14-21(15-28)27(33)30-17-20-7-6-12-29-16-20/h3-14,16,18H,17H2,1-2H3,(H,30,33)/b21-14+