(Z)-3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: (Z)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)acrylonitrile Formula: C27H27FN4O3 MolecularWeight: 474.526683

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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)N3CCOCC3)C4=CC=CC=C4)F

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)N3CCOCC3)C4=CC=CC=C4)F

InChI

InChI=1S/C27H27FN4O3/c1-2-3-13-35-25-10-9-20(17-24(25)28)26-22(19-32(30-26)23-7-5-4-6-8-23)16-21(18-29)27(33)31-11-14-34-15-12-31/h4-10,16-17,19H,2-3,11-15H2,1H3/b21-16-