(Z)-3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide

Systemtic Name: (Z)-3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (Z)-3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide CAS Name: (Z)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (Z)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (Z)-3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)acrylamide Formula: C27H29FN4O3 MolecularWeight: 476.542563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3)F

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCCCOC)C3=CC=CC=C3)F

InChI

InChI=1S/C27H29FN4O3/c1-3-4-15-35-25-12-11-20(17-24(25)28)26-22(19-32(31-26)23-9-6-5-7-10-23)16-21(18-29)27(33)30-13-8-14-34-2/h5-7,9-12,16-17,19H,3-4,8,13-15H2,1-2H3,(H,30,33)/b21-16-