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

Systemtic Name: 2-cyano-3-[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: 2-cyano-3-[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: 2-cyano-3-[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: 2-cyano-3-[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: 2-cyano-3-[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(3-pyridylmethyl)acrylamide Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5O2/c1-20(2)36-27-12-11-23(14-21(27)3)28-25(19-34(33-28)26-9-5-4-6-10-26)15-24(16-30)29(35)32-18-22-8-7-13-31-17-22/h4-15,17,19-20H,18H2,1-3H3,(H,32,35)