N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(2-chloro-6-fluoro-benzylidene)amino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C25H28ClFN4O2 MolecularWeight: 470.966823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C25H28ClFN4O2/c1-2-3-4-5-6-7-15-33-19-13-11-18(12-14-19)23-16-24(30-29-23)25(32)31-28-17-20-21(26)9-8-10-22(20)27/h8-14,16-17H,2-7,15H2,1H3,(H,29,30)(H,31,32)/b28-17+