4,5-bis(4-fluorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 4,5-bis(4-fluorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide Openeye Name: 4,5-bis(4-fluorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide CAS Name: 4,5-bis(4-fluorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 4,5-bis(4-fluorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3,4-bis(4-fluorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-2-pyrazoline-1-carboxamide Formula: C34H33F2N3O3 MolecularWeight: 569.640926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)N3CC(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)N3CC(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C34H33F2N3O3/c1-2-3-4-5-22-41-29-18-20-31(21-19-29)42-30-16-14-28(15-17-30)37-34(40)39-23-32(24-6-10-26(35)11-7-24)33(38-39)25-8-12-27(36)13-9-25/h6-21,32H,2-5,22-23H2,1H3,(H,37,40)