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

Systemtic Name: 2-cyano-N-methyl-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: 2-cyano-3-[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-prop-2-enamide CAS Name: 2-cyano-N-methyl-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-N-methyl-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: 2-cyano-3-[3-(4-isoamoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-acrylamide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NC)C3=CC=CC=C3)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NC)C3=CC=CC=C3)OCCC(C)C

InChI

InChI=1S/C26H28N4O2/c1-18(2)12-13-32-24-11-10-20(14-19(24)3)25-22(15-21(16-27)26(31)28-4)17-30(29-25)23-8-6-5-7-9-23/h5-11,14-15,17-18H,12-13H2,1-4H3,(H,28,31)