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

Systemtic Name: 2-cyano-N-methyl-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: 2-cyano-3-[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-prop-2-enamide CAS Name: 2-cyano-N-methyl-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-N-methyl-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: 2-cyano-3-[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-acrylamide Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC)C3=CC=CC=C3

InChI

InChI=1S/C25H26N4O2/c1-18(2)13-14-31-23-11-9-19(10-12-23)24-21(15-20(16-26)25(30)27-3)17-29(28-24)22-7-5-4-6-8-22/h4-12,15,17-18H,13-14H2,1-3H3,(H,27,30)