N-[(E)-(4-fluorophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(4-fluorophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(4-fluorophenyl)methyleneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(4-fluorophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(4-fluorophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-amoxyphenyl)-N-[(E)-(4-fluorobenzylidene)amino]-1H-pyrazole-5-carboxamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)F

InChI

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