N-[(Z)-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: N-[(Z)-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: N-[(Z)-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]acetamide CAS Name: N-[(Z)-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: N-[(Z)-[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide Traditional Name: N-[(Z)-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]acetamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=NNC(=O)C)C3=CC=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O2/c1-3-4-12-29-21-11-10-17(13-20(21)23)22-18(14-24-25-16(2)28)15-27(26-22)19-8-6-5-7-9-19/h5-11,13-15H,3-4,12H2,1-2H3,(H,25,28)/b24-14-