5-(3-azanylbutyl)-3-[2,5-bis(fluoranyl)phenyl]-N-ethyl-5-phenyl-4H-pyrazole-1-carboxamide

Systemtic Name: 5-(3-azanylbutyl)-3-[2,5-bis(fluoranyl)phenyl]-N-ethyl-5-phenyl-4H-pyrazole-1-carboxamide Openeye Name: 5-(3-aminobutyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4H-pyrazole-1-carboxamide CAS Name: 5-(3-aminobutyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4H-pyrazole-1-carboxamide IUPAC Name: 5-(3-aminobutyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4H-pyrazole-1-carboxamide Traditional Name: 5-(3-aminobutyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-2-pyrazoline-1-carboxamide Formula: C22H26F2N4O MolecularWeight: 400.464846

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(CC(=N1)C2=C(C=CC(=C2)F)F)(CCC(C)N)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)N1C(CC(=N1)C2=C(C=CC(=C2)F)F)(CCC(C)N)C3=CC=CC=C3

InChI

InChI=1S/C22H26F2N4O/c1-3-26-21(29)28-22(12-11-15(2)25,16-7-5-4-6-8-16)14-20(27-28)18-13-17(23)9-10-19(18)24/h4-10,13,15H,3,11-12,14,25H2,1-2H3,(H,26,29)